(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid

C13H24N2O4 — CID 61202045

IUPAC(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)N1CC(C)OCC1C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-8(2)11(12(16)17)14-13(18)15-6-10(4)19-7-9(15)3/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/t8?,9?,10?,11-/m0/s1
InChIKeyFTJJYTYQLRAIJT-QUBJWBRDSA-N
MW272.35 g/mol
LogP1.30
Rot. Bonds4

About (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid

(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 61202045) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
PubChem CID61202045
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)N1CC(C)OCC1C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-8(2)11(12(16)17)14-13(18)15-6-10(4)19-7-9(15)3/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/t8?,9?,10?,11-/m0/s1
InChIKeyFTJJYTYQLRAIJT-QUBJWBRDSA-N
XLogP1.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-3-methylpentanoic acid
CID 81204288
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
CID 81085268
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
(2R)-2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 81205269
(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
CID 61172286
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82687889
(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895016
2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61203036
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid (CID 61202045) is (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)N1CC(C)OCC1C)C(=O)O.
What is the InChIKey of (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is FTJJYTYQLRAIJT-QUBJWBRDSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-8(2)11(12(16)17)14-13(18)15-6-10(4)19-7-9(15)3/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid?
(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 61202045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).