4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid

C12H23NO2 — CID 64501348

IUPAC4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid
SMILESCC(C)CC(NC1CCC(C)C1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-8(2)6-11(12(14)15)13-10-5-4-9(3)7-10/h8-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyYWBJCXCVXXRFHS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.26
Rot. Bonds5

About 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid

4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid (PubChem CID 64501348) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid
PubChem CID64501348
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid
SMILESCC(C)CC(NC1CCC(C)C1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-8(2)6-11(12(14)15)13-10-5-4-9(3)7-10/h8-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyYWBJCXCVXXRFHS-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 64741574
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550
N,N,4-trimethyl-2-[(4-methylcycloheptyl)amino]pentanamide
CID 65080591
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
CID 95368773
2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid (CID 64501348) is 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid is CC(C)CC(NC1CCC(C)C1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid?
The InChIKey is YWBJCXCVXXRFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)6-11(12(14)15)13-10-5-4-9(3)7-10/h8-11,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid?
4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid is sourced from PubChem (CID 64501348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).