5-[(1-methylcyclopropyl)amino]pentanoic acid

C9H17NO2 — CID 103263978

IUPAC5-[(1-methylcyclopropyl)amino]pentanoic acid
SMILESCC1(NCCCCC(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-9(5-6-9)10-7-3-2-4-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyGDVLXSSCOPUIIX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds6

About 5-[(1-methylcyclopropyl)amino]pentanoic acid

5-[(1-methylcyclopropyl)amino]pentanoic acid (PubChem CID 103263978) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-[(1-methylcyclopropyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-methylcyclopropyl)amino]pentanoic acid
PubChem CID103263978
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-[(1-methylcyclopropyl)amino]pentanoic acid
SMILESCC1(NCCCCC(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-9(5-6-9)10-7-3-2-4-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyGDVLXSSCOPUIIX-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
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

5-(methylamino)pentanoic acid
CID 91583432
5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid
CID 106215305
ethane;5-(methylamino)pentanoic acid
CID 178043439
6-(methylamino)hexanoic acid
CID 4989372
7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid
CID 113485787
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid
CID 87955978
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
N'-hydroxy-5-[(1-methylcyclopentyl)amino]pentanimidamide
CID 77030789
3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]propanoic acid
CID 129366944
5-(2-methylpropoxyamino)pentanoic acid
CID 103261565
hexanoic acid;N-methyltridecan-1-amine
CID 173175224

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclopropyl)amino]pentanoic acid?
The IUPAC name of 5-[(1-methylcyclopropyl)amino]pentanoic acid (CID 103263978) is 5-[(1-methylcyclopropyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1-methylcyclopropyl)amino]pentanoic acid?
The canonical SMILES for 5-[(1-methylcyclopropyl)amino]pentanoic acid is CC1(NCCCCC(=O)O)CC1.
What is the InChIKey of 5-[(1-methylcyclopropyl)amino]pentanoic acid?
The InChIKey is GDVLXSSCOPUIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(5-6-9)10-7-3-2-4-8(11)12/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 5-[(1-methylcyclopropyl)amino]pentanoic acid?
5-[(1-methylcyclopropyl)amino]pentanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclopropyl)amino]pentanoic acid is sourced from PubChem (CID 103263978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).