1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid

C8H13NO3 — CID 103439535

IUPAC1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid
SMILESCCCN(C=O)C1(C(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-2-5-9(6-10)8(3-4-8)7(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyXJFMVMGVUXJTDK-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds5

About 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid

1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 103439535) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid
PubChem CID103439535
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid
SMILESCCCN(C=O)C1(C(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-2-5-9(6-10)8(3-4-8)7(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyXJFMVMGVUXJTDK-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[formyl(propyl)amino]azepane-4-carboxylic acid
CID 65076167
1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
CID 106822748
1-[ethyl(formyl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085716
1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513811
1-[methyl(propyl)amino]cyclooctane-1-carboxylic acid
CID 82238465
1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63688884
4-[formyl(propyl)amino]-2,3-dihydrothiochromene-4-carboxylic acid
CID 63687427
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
1-[acetyl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63704010
2-[ethyl(formyl)amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 55231808
1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 114991786
3-(dipropylamino)thiane-3-carboxylic acid
CID 114997522

Frequently Asked Questions

What is the IUPAC name of 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid (CID 103439535) is 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid is CCCN(C=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is XJFMVMGVUXJTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-5-9(6-10)8(3-4-8)7(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid?
1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103439535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).