5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid

C12H21N3O5 — CID 61201292

IUPAC5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CN(C(=O)NC(CCC(N)=O)C(=O)O)C(C)CO1
InChIInChI=1S/C12H21N3O5/c1-7-6-20-8(2)5-15(7)12(19)14-9(11(17)18)3-4-10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyVOBGQQKAMVRHNZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.48
Rot. Bonds5

About 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 61201292) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID61201292
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CN(C(=O)NC(CCC(N)=O)C(=O)O)C(C)CO1
InChIInChI=1S/C12H21N3O5/c1-7-6-20-8(2)5-15(7)12(19)14-9(11(17)18)3-4-10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyVOBGQQKAMVRHNZ-UHFFFAOYSA-N
XLogP-0.48
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
CID 81085268
4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61425360
(2S)-5-amino-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-5-oxopentanoic acid
CID 104959619
(2S)-5-amino-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]-5-oxopentanoic acid
CID 62968335
(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61202045
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895016
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82687889

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid (CID 61201292) is 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid is CC1CN(C(=O)NC(CCC(N)=O)C(=O)O)C(C)CO1.
What is the InChIKey of 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is VOBGQQKAMVRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-7-6-20-8(2)5-15(7)12(19)14-9(11(17)18)3-4-10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61201292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).