(2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid

C15H30N2O3 — CID 122100127

IUPAC(2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NCC(=O)N(C)C(C)CC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-7-11(4)14(15(19)20)16-9-13(18)17(6)12(5)8-10(2)3/h10-12,14,16H,7-9H2,1-6H3,(H,19,20)/t11-,12?,14-/m0/s1
InChIKeyLFTXPASZGRTPCE-PSIKVXPXSA-N
MW286.42 g/mol
LogP1.97
Rot. Bonds9

About (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 122100127) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
PubChem CID122100127
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NCC(=O)N(C)C(C)CC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-7-11(4)14(15(19)20)16-9-13(18)17(6)12(5)8-10(2)3/h10-12,14,16H,7-9H2,1-6H3,(H,19,20)/t11-,12?,14-/m0/s1
InChIKeyLFTXPASZGRTPCE-PSIKVXPXSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]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

(2R)-3-methyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79009702
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 61197820
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235
(2S,3S)-2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100129
(2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide
CID 97252212
2-(3,5-dimethylhexanoylamino)-3-methylpentanoic acid
CID 119211507
(2S,3S)-3-methyl-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 61203270
(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 61173670
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid (CID 122100127) is (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid is CC[C@H](C)[C@H](NCC(=O)N(C)C(C)CC(C)C)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is LFTXPASZGRTPCE-PSIKVXPXSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-7-11(4)14(15(19)20)16-9-13(18)17(6)12(5)8-10(2)3/h10-12,14,16H,7-9H2,1-6H3,(H,19,20)/t11-,12?,14-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.97, 9 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-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 122100127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).