2-(cyclopropylamino)-3-methylpentanoic acid

C9H17NO2 — CID 61319137

IUPAC2-(cyclopropylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC1CC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-6(2)8(9(11)12)10-7-4-5-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyMQPJFFIBMXZMIR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds5

About 2-(cyclopropylamino)-3-methylpentanoic acid

2-(cyclopropylamino)-3-methylpentanoic acid (PubChem CID 61319137) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-methylpentanoic acid
PubChem CID61319137
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(cyclopropylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC1CC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-6(2)8(9(11)12)10-7-4-5-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyMQPJFFIBMXZMIR-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-[[2-(cyclopropylamino)acetyl]amino]-3-methylpentanoic acid
CID 61172077
2-[(4-ethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 61468155
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
(2S)-2-(cyclopropylmethylcarbamoylamino)-3-methylpentanoic acid
CID 61180924
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S,3S)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 119194354
2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198672
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
(2S)-2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198501

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-methylpentanoic acid (CID 61319137) is 2-(cyclopropylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-methylpentanoic acid is CCC(C)C(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-methylpentanoic acid?
The InChIKey is MQPJFFIBMXZMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-6(2)8(9(11)12)10-7-4-5-7/h6-8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-(cyclopropylamino)-3-methylpentanoic acid?
2-(cyclopropylamino)-3-methylpentanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-methylpentanoic acid is sourced from PubChem (CID 61319137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).