2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid

C13H24N2O3 — CID 104685502

IUPAC2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC(CCCN)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(5-4-8-14)11(16)15-10-6-3-7-13(10,2)12(17)18/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCQMUCPCYMQNKLN-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds6

About 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 104685502) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID104685502
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC(CCCN)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(5-4-8-14)11(16)15-10-6-3-7-13(10,2)12(17)18/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCQMUCPCYMQNKLN-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209774
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765494
2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763950
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762630
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 82765524
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 103930463
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 104685502) is 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC(CCCN)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is CQMUCPCYMQNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(5-4-8-14)11(16)15-10-6-3-7-13(10,2)12(17)18/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 104685502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).