2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid

C13H24N2O4 — CID 4266750

IUPAC2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CC(C)OC(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-8(2)5-11(12(16)17)14-13(18)15-6-9(3)19-10(4)7-15/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBFTUNYRGNSSMNV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.30
Rot. Bonds4

About 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid

2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 4266750) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID4266750
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CC(C)OC(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-8(2)5-11(12(16)17)14-13(18)15-6-9(3)19-10(4)7-15/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBFTUNYRGNSSMNV-UHFFFAOYSA-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

(S)-methyl 4-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 944347
(S)-3-Methyl-2-[(4-methyl-piperidine-1-carbonyl)-amino]-pentanoic acid
CID 16682089
(S)-3-Methyl-2-[(piperidine-1-carbonyl)-amino]-pentanoic acid methyl ester
CID 16682292
(2S)-methyl 4-methyl-2-(2-methylpiperidine-1-carboxamido)pentanoate
CID 16682389
(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)-methyl 4-methyl-2-(piperidine-1-carboxamido)pentanoate
CID 938928
(2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 16405217
(S)-2-[3-(3-Butoxy-propyl)-ureido]-3-methyl-pentanoic acid
CID 16682237
(2S)-2-(3-butoxypropylcarbamoylamino)-4-methylpentanoic acid
CID 664107
N-(Morpholinocarbonyl)leucine methyl ester
CID 749333
N-[(4-methylpiperidin-1-yl)carbonyl]isoleucine
CID 4407689

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid (CID 4266750) is 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)N1CC(C)OC(C)C1)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is BFTUNYRGNSSMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8(2)5-11(12(16)17)14-13(18)15-6-9(3)19-10(4)7-15/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-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 2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 4266750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).