3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid

C12H20N2O4 — CID 50968880

IUPAC3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C12H20N2O4/c15-10(13-8-7-12(17)18)5-6-11(16)14-9-3-1-2-4-9/h9H,1-8H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyMEWBOYZVDOYMOV-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.42
Rot. Bonds7

About 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid

3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid (PubChem CID 50968880) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
PubChem CID50968880
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C12H20N2O4/c15-10(13-8-7-12(17)18)5-6-11(16)14-9-3-1-2-4-9/h9H,1-8H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyMEWBOYZVDOYMOV-UHFFFAOYSA-N
XLogP0.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-4-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 44319064
4-(Cyclopentylamino)-4-oxobutanoic acid
CID 1530103
3-[[4-(2-Carboxyethylamino)-4-oxobutanoyl]amino]propanoic acid
CID 19911720
4-Oxo-4-[[3-oxo-3-(pentan-3-ylamino)propyl]amino]butanoic acid
CID 59939842
(2S)-2-amino-4-(cyclopentylamino)-4-oxobutanoic acid
CID 67329458
2-Amino-4-(cyclopentylamino)-4-oxobutanoic acid
CID 67329461
3-[(4-Amino-4-oxobutanoyl)amino]propanoic acid
CID 88998087
(3S)-3-amino-4-(5-aminopentylamino)-4-oxobutanoic acid
CID 102294994
3-(4-Acetamidobutanoylamino)propanoic acid
CID 146605320
[4-(Cyclopentylamino)-4-oxobutanoyl]oxidanium
CID 163819970
3-[(1-Cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43170629
3-(6-Acetamidohexanoylamino)butanoic acid
CID 43360793

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid (CID 50968880) is 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid is O=C(O)CCNC(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid?
The InChIKey is MEWBOYZVDOYMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(13-8-7-12(17)18)5-6-11(16)14-9-3-1-2-4-9/h9H,1-8H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid?
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid is sourced from PubChem (CID 50968880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).