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

C12H22N2O4 — CID 61428247

IUPAC2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)N1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-5-9(10(15)16)13-11(17)14-6-7-18-8-12(14,2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyVAMXQONZAZDELO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds4

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

2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 61428247) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID61428247
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)N1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-5-9(10(15)16)13-11(17)14-6-7-18-8-12(14,2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyVAMXQONZAZDELO-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826658
(2S)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107826661
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61428446
4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61428585
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957
2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 107566897
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]oxane-4-carboxylic acid
CID 115292950
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
CID 99841406
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107566616

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid (CID 61428247) is 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid is CCCC(NC(=O)N1CCOCC1(C)C)C(=O)O.
What is the InChIKey of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is VAMXQONZAZDELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-5-9(10(15)16)13-11(17)14-6-7-18-8-12(14,2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid?
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 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]pentanoic acid is sourced from PubChem (CID 61428247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).