2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid

C46H67N5O10 — CID 67904968

IUPAC2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCc1ccc[nH]1.O=C(O)CCCCCc1ccc[nH]1.O=C(O)CCCc1ccc[nH]1.O=C(O)CCc1ccc[nH]1.O=C(O)Cc1ccc[nH]1
InChIInChI=1S/C15H25NO2.C10H15NO2.C8H11NO2.C7H9NO2.C6H7NO2/c17-15(18)12-8-6-4-2-1-3-5-7-10-14-11-9-13-16-14;12-10(13)7-3-1-2-5-9-6-4-8-11-9;10-8(11)5-1-3-7-4-2-6-9-7;9-7(10)4-3-6-2-1-5-8-6;8-6(9)4-5-2-1-3-7-5/h9,11,13,16H,1-8,10,12H2,(H,17,18);4,6,8,11H,1-3,5,7H2,(H,12,13);2,4,6,9H,1,3,5H2,(H,10,11);1-2,5,8H,3-4H2,(H,9,10);1-3,7H,4H2,(H,8,9)
InChIKeyXARRIXARZSATDN-UHFFFAOYSA-N
MW850.07 g/mol
LogP9.45
Rot. Bonds26

About 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid

2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid (PubChem CID 67904968) has the molecular formula C46H67N5O10 and a molecular weight of 850.07 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid
PubChem CID67904968
Molecular FormulaC46H67N5O10
Molecular Weight850.07 g/mol
Exact Mass849.49
IUPAC Name2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCc1ccc[nH]1.O=C(O)CCCCCc1ccc[nH]1.O=C(O)CCCc1ccc[nH]1.O=C(O)CCc1ccc[nH]1.O=C(O)Cc1ccc[nH]1
InChIInChI=1S/C15H25NO2.C10H15NO2.C8H11NO2.C7H9NO2.C6H7NO2/c17-15(18)12-8-6-4-2-1-3-5-7-10-14-11-9-13-16-14;12-10(13)7-3-1-2-5-9-6-4-8-11-9;10-8(11)5-1-3-7-4-2-6-9-7;9-7(10)4-3-6-2-1-5-8-6;8-6(9)4-5-2-1-3-7-5/h9,11,13,16H,1-8,10,12H2,(H,17,18);4,6,8,11H,1-3,5,7H2,(H,12,13);2,4,6,9H,1,3,5H2,(H,10,11);1-2,5,8H,3-4H2,(H,9,10);1-3,7H,4H2,(H,8,9)
InChIKeyXARRIXARZSATDN-UHFFFAOYSA-N
XLogP9.45
TPSA265.45 Ų
H-Bond Donors10
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.07
LogP ≤ 59.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid with MolForge

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Related Compounds

3-(1H-pyrrol-2-yl)propyl hydrogen carbonate
CID 150891506
2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
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CID 57287097
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CID 2737151
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
4-(1H-pyrrol-2-yl)butylboronic acid
CID 57112268
2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
CID 67686258
10-(1-hydroxynaphthalen-2-yl)decanoic acid
CID 151914986
2-pentyl-1H-azonine
CID 174935963
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid?
The IUPAC name of 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid (CID 67904968) is 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid?
The canonical SMILES for 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid is O=C(O)CCCCCCCCCCc1ccc[nH]1.O=C(O)CCCCCc1ccc[nH]1.O=C(O)CCCc1ccc[nH]1.O=C(O)CCc1ccc[nH]1.O=C(O)Cc1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid?
The InChIKey is XARRIXARZSATDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.C10H15NO2.C8H11NO2.C7H9NO2.C6H7NO2/c17-15(18)12-8-6-4-2-1-3-5-7-10-14-11-9-13-16-14;12-10(13)7-3-1-2-5-9-6-4-8-11-9;10-8(11)5-1-3-7-4-2-6-9-7;9-7(10)4-3-6-2-1-5-8-6;8-6(9)4-5-2-1-3-7-5/h9,11,13,16H,1-8,10,12H2,(H,17,18);4,6,8,11H,1-3,5,7H2,(H,12,13);2,4,6,9H,1,3,5H2,(H,10,11);1-2,5,8H,3-4H2,(H,9,10);1-3,7H,4H2,(H,8,9).
What are the key properties of 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid?
2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid has a molecular weight of 850.07 g/mol, XLogP of 9.45, 26 rotatable bonds, 10 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid is sourced from PubChem (CID 67904968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).