2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid

C12H24N2O3 — CID 79803549

IUPAC2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)[C@@H](N)CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-12(6-2,11(16)17)14-10(15)9(13)7-8(3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyNLXVJBKOKZTJCH-VIFPVBQESA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds7

About 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid

2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid (PubChem CID 79803549) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
PubChem CID79803549
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)[C@@H](N)CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-12(6-2,11(16)17)14-10(15)9(13)7-8(3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyNLXVJBKOKZTJCH-VIFPVBQESA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic 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

(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
CID 104903603
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
CID 112555766
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79803751
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 62049630
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 79804080
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid (CID 79803549) is 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)[C@@H](N)CC(C)C)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid?
The InChIKey is NLXVJBKOKZTJCH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-12(6-2,11(16)17)14-10(15)9(13)7-8(3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid?
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79803549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).