(2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid

C14H26N2O4 — CID 61436081

IUPAC(2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)N(C)CC1CCCCO1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-10(2)12(13(17)18)15-14(19)16(3)9-11-7-5-6-8-20-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10-,11?,12-/m0/s1
InChIKeyWZOCLMGKTUXHDR-PRWSFJOGSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds6

About (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid (PubChem CID 61436081) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid
PubChem CID61436081
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)N(C)CC1CCCCO1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-10(2)12(13(17)18)15-14(19)16(3)9-11-7-5-6-8-20-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10-,11?,12-/m0/s1
InChIKeyWZOCLMGKTUXHDR-PRWSFJOGSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]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

(S)-2-[3-(3-Isopropoxy-propyl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 16682446
(2S,3R)-methyl 3-methyl-2-(3-(3-morpholinopropyl)ureido)pentanoate
CID 663402
(S)-2-[3-(3-Butoxy-propyl)-ureido]-3-methyl-pentanoic acid
CID 16682237
(2S)-5,5-dimethyl-2-[(morpholine-4-carbonyl)amino]hexanoic acid
CID 169080271
4-Methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 3719244
3,3,3-Trifluoro-2-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 79791912
3,3,3-Trifluoro-2-methyl-2-(oxan-2-ylmethylcarbamoylamino)propanoic acid
CID 79801602
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 105918858
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 105918926
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 105919122
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071668
4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 114425595

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid (CID 61436081) is (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)N(C)CC1CCCCO1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is WZOCLMGKTUXHDR-PRWSFJOGSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-10(2)12(13(17)18)15-14(19)16(3)9-11-7-5-6-8-20-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10-,11?,12-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61436081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).