2-(cyclopropylamino)heptanoic acid

C10H19NO2 — CID 43754511

IUPAC2-(cyclopropylamino)heptanoic acid
SMILESCCCCCC(NC1CC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-2-3-4-5-9(10(12)13)11-8-6-7-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyNRCICBCKNPBMBE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.77
Rot. Bonds7

About 2-(cyclopropylamino)heptanoic acid

2-(cyclopropylamino)heptanoic acid (PubChem CID 43754511) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)heptanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)heptanoic acid
PubChem CID43754511
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(cyclopropylamino)heptanoic acid
SMILESCCCCCC(NC1CC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-2-3-4-5-9(10(12)13)11-8-6-7-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyNRCICBCKNPBMBE-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.77
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

2-(cyclohexylamino)heptanoic acid
CID 60998800
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
(2R)-2-(piperidin-3-ylamino)decanoic acid
CID 160838910
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
2-(cyclohexylamino)octanamide
CID 54893908
2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
CID 55144725
2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
CID 103259393
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175
2-(spiro[3.5]nonan-2-ylamino)hexanoic acid
CID 122124242
2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)heptanoic acid?
The IUPAC name of 2-(cyclopropylamino)heptanoic acid (CID 43754511) is 2-(cyclopropylamino)heptanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)heptanoic acid?
The canonical SMILES for 2-(cyclopropylamino)heptanoic acid is CCCCCC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)heptanoic acid?
The InChIKey is NRCICBCKNPBMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-5-9(10(12)13)11-8-6-7-8/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(cyclopropylamino)heptanoic acid?
2-(cyclopropylamino)heptanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)heptanoic acid is sourced from PubChem (CID 43754511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).