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

C13H24N2O4 — CID 61428446

IUPAC2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)7-10(11(16)17)14-12(18)15-5-6-19-8-13(15,3)4/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyPBFCFEHNFASYRH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds4

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

2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 61428446) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID61428446
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)7-10(11(16)17)14-12(18)15-5-6-19-8-13(15,3)4/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyPBFCFEHNFASYRH-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 61428247
(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826658
4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61428585
(2S)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107826661
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
CID 61430745
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 78946628
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 48521768
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid (CID 61428446) is 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)N1CCOCC1(C)C)C(=O)O.
What is the InChIKey of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is PBFCFEHNFASYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)7-10(11(16)17)14-12(18)15-5-6-19-8-13(15,3)4/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61428446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).