4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid

C9H15NO3 — CID 16772815

IUPAC4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC1CC1C(=O)NCCCC(=O)O
InChIInChI=1S/C9H15NO3/c1-6-5-7(6)9(13)10-4-2-3-8(11)12/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyZZZIVXNQWTZPCZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds5

About 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid

4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 16772815) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID16772815
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC1CC1C(=O)NCCCC(=O)O
InChIInChI=1S/C9H15NO3/c1-6-5-7(6)9(13)10-4-2-3-8(11)12/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyZZZIVXNQWTZPCZ-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
6-(3-carboxypropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 54868731
3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60989213
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
N-(3-cyanopropyl)-2-methylcyclopropane-1-carboxamide
CID 62667763
3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60825898
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
CID 115627883

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid (CID 16772815) is 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid is CC1CC1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is ZZZIVXNQWTZPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-5-7(6)9(13)10-4-2-3-8(11)12/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 16772815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).