(3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid

C10H16N2O2 — CID 130723648

IUPAC(3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid
SMILESCc1[nH]c([C@H](N)CC(=O)O)c(C)c1C
InChIInChI=1S/C10H16N2O2/c1-5-6(2)10(12-7(5)3)8(11)4-9(13)14/h8,12H,4,11H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyKRRXXNALCJGMJP-MRVPVSSYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds3

About (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid

(3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid (PubChem CID 130723648) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid
PubChem CID130723648
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid
SMILESCc1[nH]c([C@H](N)CC(=O)O)c(C)c1C
InChIInChI=1S/C10H16N2O2/c1-5-6(2)10(12-7(5)3)8(11)4-9(13)14/h8,12H,4,11H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyKRRXXNALCJGMJP-MRVPVSSYSA-N
XLogP1.41
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 83530111
(3R)-3-amino-3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
CID 130676194
3-amino-3-(4-methoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 170872674
(3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid
CID 131059457
3-amino-3-(4,5-dimethyl-2-methylsulfonylphenyl)propanoic acid
CID 117431226
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
3-amino-3-[3-[(dimethylamino)methyl]-4-hydroxy-2-methylphenyl]propanoic acid
CID 117384175
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
3-amino-3-(2-methyl-5-methylsulfonylphenyl)propanoic acid
CID 117396460
3-amino-3-(3-methoxy-2-methylsulfonylphenyl)propanoic acid
CID 117435625
(3S)-3-amino-3-(3-iodo-2-methylphenyl)propanoic acid
CID 130747299

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid (CID 130723648) is (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid is Cc1[nH]c([C@H](N)CC(=O)O)c(C)c1C.
What is the InChIKey of (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid?
The InChIKey is KRRXXNALCJGMJP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-6(2)10(12-7(5)3)8(11)4-9(13)14/h8,12H,4,11H2,1-3H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid?
(3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 130723648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).