2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid

C11H22N2O3 — CID 82689234

IUPAC2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)CCC(C)CN)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-9(11(15)16)7-13-10(14)5-4-8(2)6-12/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGCTJXWZNACONML-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds8

About 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid

2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid (PubChem CID 82689234) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
PubChem CID82689234
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)CCC(C)CN)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-9(11(15)16)7-13-10(14)5-4-8(2)6-12/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGCTJXWZNACONML-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
5-amino-N-(2,3-dimethylbutyl)-4-methylpentanamide
CID 82688279
2-[[3-(methylamino)propanoylamino]methyl]butanoic acid
CID 65224493
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-[(5-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 82011210
3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methyloctanoic acid
CID 87608644
(3S)-3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methylhexanoic acid
CID 82688879
2-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65218166
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid (CID 82689234) is 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid is CCC(CNC(=O)CCC(C)CN)C(=O)O.
What is the InChIKey of 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid?
The InChIKey is GCTJXWZNACONML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-9(11(15)16)7-13-10(14)5-4-8(2)6-12/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid?
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid is sourced from PubChem (CID 82689234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).