3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid

C9H11NO3 — CID 59440444

IUPAC3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1=CC=CC1
InChIInChI=1S/C9H11NO3/c11-8(12)5-6-10-9(13)7-3-1-2-4-7/h1-3H,4-6H2,(H,10,13)(H,11,12)
InChIKeyXFUMMGLMHFQUJE-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.46
Rot. Bonds4

About 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid

3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid (PubChem CID 59440444) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid
PubChem CID59440444
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1=CC=CC1
InChIInChI=1S/C9H11NO3/c11-8(12)5-6-10-9(13)7-3-1-2-4-7/h1-3H,4-6H2,(H,10,13)(H,11,12)
InChIKeyXFUMMGLMHFQUJE-UHFFFAOYSA-N
XLogP0.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide
CID 102277327
N-(1-hydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141292944
2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid
CID 170069281
bis(3-benzamidopropanoic acid);piperazine
CID 3045072
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343241
N-butyl-1,2-dihydropyridine-3-carboxamide
CID 144846174
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
CID 22887606

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid?
The IUPAC name of 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid (CID 59440444) is 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid?
The canonical SMILES for 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid is O=C(O)CCNC(=O)C1=CC=CC1.
What is the InChIKey of 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid?
The InChIKey is XFUMMGLMHFQUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8(12)5-6-10-9(13)7-3-1-2-4-7/h1-3H,4-6H2,(H,10,13)(H,11,12).
What are the key properties of 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid?
3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 59440444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).