1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid

C10H17NO3 — CID 153371110

IUPAC1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid
SMILESCC(=O)NCCCCC1(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-8(12)11-7-3-2-4-10(5-6-10)9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyKFIPODXMINEQTM-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds6

About 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid

1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid (PubChem CID 153371110) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid
PubChem CID153371110
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid
SMILESCC(=O)NCCCCC1(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-8(12)11-7-3-2-4-10(5-6-10)9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyKFIPODXMINEQTM-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
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

1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451265
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclopropane-1-carboxylic acid
CID 154533814
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361686
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
N-(3-acetamidopropyl)acetamide
CID 5147555
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
1-[4-[2-[4-(1-carboxycyclopropyl)butyl]-3,6-dimethylphenyl]butyl]cyclopropane-1-carboxylic acid
CID 155770646
1-(3-chloropropyl)cyclopropane-1-carboxylic acid
CID 130514627

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid (CID 153371110) is 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid is CC(=O)NCCCCC1(C(=O)O)CC1.
What is the InChIKey of 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid?
The InChIKey is KFIPODXMINEQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(12)11-7-3-2-4-10(5-6-10)9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid?
1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 153371110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).