2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid

C13H26N2O3 — CID 65223888

IUPAC2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CCC(C)CCN)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-3-4-11(13(17)18)9-15-12(16)6-5-10(2)7-8-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYJTVQWBLFHGBJG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.37
Rot. Bonds10

About 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid

2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid (PubChem CID 65223888) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
PubChem CID65223888
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CCC(C)CCN)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-3-4-11(13(17)18)9-15-12(16)6-5-10(2)7-8-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYJTVQWBLFHGBJG-UHFFFAOYSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic 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-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
CID 65224048
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid
CID 65493717
N-(4-amino-2-methylbutyl)-3-propoxypropanamide
CID 66089751

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid (CID 65223888) is 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)CCC(C)CCN)C(=O)O.
What is the InChIKey of 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid?
The InChIKey is YJTVQWBLFHGBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-4-11(13(17)18)9-15-12(16)6-5-10(2)7-8-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid?
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.37, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65223888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).