2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid

C13H24N2O4 — CID 61203036

IUPAC2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC1CN(C(=O)NC(C(=O)O)C(C)CC)CCO1
InChIInChI=1S/C13H24N2O4/c1-4-9(3)11(12(16)17)14-13(18)15-6-7-19-10(5-2)8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyIPZQNVIGMVBIMO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds5

About 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid

2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 61203036) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
PubChem CID61203036
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC1CN(C(=O)NC(C(=O)O)C(C)CC)CCO1
InChIInChI=1S/C13H24N2O4/c1-4-9(3)11(12(16)17)14-13(18)15-6-7-19-10(5-2)8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyIPZQNVIGMVBIMO-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-1,4-oxazepane-4-carbonyl)amino]-3-methylbutanoic acid
CID 114218615
(2S,3S)-2-[(2-cyanomorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 79676734
(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 115535493
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61422004
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965510
(2S)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-3-methylpentanoic acid
CID 104921445
2-ethylmorpholine-4-carboxylic acid
CID 121455686
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015
(2S,3S)-2-[(4-aminopiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61402964

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid (CID 61203036) is 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid is CCC1CN(C(=O)NC(C(=O)O)C(C)CC)CCO1.
What is the InChIKey of 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is IPZQNVIGMVBIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-9(3)11(12(16)17)14-13(18)15-6-7-19-10(5-2)8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid?
2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 61203036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).