2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid

C14H26N2O3 — CID 64685103

IUPAC2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-10(2)12(15)13(19)16-14(9-11(17)18)7-5-4-6-8-14/h10,12H,3-9,15H2,1-2H3,(H,16,19)(H,17,18)/t10-,12-/m0/s1
InChIKeyPRAZBTVLRFWWQJ-JQWIXIFHSA-N
MW270.37 g/mol
LogP1.65
Rot. Bonds6

About 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid

2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid (PubChem CID 64685103) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
PubChem CID64685103
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-10(2)12(15)13(19)16-14(9-11(17)18)7-5-4-6-8-14/h10,12H,3-9,15H2,1-2H3,(H,16,19)(H,17,18)/t10-,12-/m0/s1
InChIKeyPRAZBTVLRFWWQJ-JQWIXIFHSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702115
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-[(2-amino-4-methylsulfonylbutanoyl)amino]cyclohexyl]acetic acid
CID 64686099
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid (CID 64685103) is 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid is CC[C@H](C)[C@H](N)C(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid?
The InChIKey is PRAZBTVLRFWWQJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-10(2)12(15)13(19)16-14(9-11(17)18)7-5-4-6-8-14/h10,12H,3-9,15H2,1-2H3,(H,16,19)(H,17,18)/t10-,12-/m0/s1.
What are the key properties of 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid?
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64685103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).