3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid

C12H24N2O3 — CID 82687956

IUPAC3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
SMILESCC(CN)CCC(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)10(6-12(16)17)14-11(15)5-4-9(3)7-13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFFROUAJPWWRWDU-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.98
Rot. Bonds8

About 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid

3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid (PubChem CID 82687956) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
PubChem CID82687956
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
SMILESCC(CN)CCC(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)10(6-12(16)17)14-11(15)5-4-9(3)7-13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFFROUAJPWWRWDU-UHFFFAOYSA-N
XLogP0.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic 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

3-(3-aminopropanoylamino)-4-methylpentanoic acid
CID 115558661
(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
CID 82010947
2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
CID 82012633
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011707
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
3-amino-N-(2-methylpentan-3-yl)propanamide
CID 61472687
(3S)-3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methylhexanoic acid
CID 82688879
2-[(5-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 82011210
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 82012313
3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid
CID 82011216

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid (CID 82687956) is 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid is CC(CN)CCC(=O)NC(CC(=O)O)C(C)C.
What is the InChIKey of 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The InChIKey is FFROUAJPWWRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)10(6-12(16)17)14-11(15)5-4-9(3)7-13/h8-10H,4-7,13H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82687956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).