(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid

C11H20N2O4 — CID 61155503

IUPAC(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)5-9(11(16)17)12-10(15)6-13(4)8(3)14/h7,9H,5-6H2,1-4H3,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeyJHHMRYRSJAZEPX-VIFPVBQESA-N
MW244.29 g/mol
LogP0.08
Rot. Bonds6

About (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 61155503) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID61155503
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)5-9(11(16)17)12-10(15)6-13(4)8(3)14/h7,9H,5-6H2,1-4H3,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeyJHHMRYRSJAZEPX-VIFPVBQESA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-[acetyl(methyl)amino]acetyl]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

(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61152892
(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid
CID 107831537
(2S,3R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxybutanoic acid
CID 104964394
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
(2S)-2-(3,4-dimethylpentanoylamino)-4-methylpentanoic acid
CID 119361522
2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-4-methylpentanoic acid
CID 119188632
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 82042455
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120516084
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid (CID 61155503) is (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid is CC(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is JHHMRYRSJAZEPX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)5-9(11(16)17)12-10(15)6-13(4)8(3)14/h7,9H,5-6H2,1-4H3,(H,12,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 61155503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).