2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid

C13H24N2O3 — CID 64702115

IUPAC2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
SMILESCCC(C)C(N)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-9(2)11(14)12(18)15-13(8-10(16)17)6-4-5-7-13/h9,11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZRLACCOSFBZNLS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds6

About 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid

2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid (PubChem CID 64702115) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
PubChem CID64702115
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
SMILESCCC(C)C(N)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-9(2)11(14)12(18)15-13(8-10(16)17)6-4-5-7-13/h9,11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZRLACCOSFBZNLS-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283
2-[1-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclopentyl]acetic acid
CID 64701117
2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide
CID 104873451
2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
CID 79845445
(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
CID 62551339
2-[1-(2-aminohexanoylamino)cyclopentyl]acetic acid
CID 64702103
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid
CID 64702104

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid (CID 64702115) is 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid is CCC(C)C(N)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid?
The InChIKey is ZRLACCOSFBZNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-9(2)11(14)12(18)15-13(8-10(16)17)6-4-5-7-13/h9,11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid?
2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).