(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

C13H20N4O4 — CID 104895016

IUPAC(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCC1CN(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)C(C)CO1
InChIInChI=1S/C13H20N4O4/c1-8-6-21-9(2)5-17(8)13(20)16-11(12(18)19)3-10-4-14-7-15-10/h4,7-9,11H,3,5-6H2,1-2H3,(H,14,15)(H,16,20)(H,18,19)/t8?,9?,11-/m1/s1
InChIKeyZIPAQELFZOBDKS-NWGYLPEXSA-N
MW296.33 g/mol
LogP0.22
Rot. Bonds4

About (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 104895016) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID104895016
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCC1CN(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)C(C)CO1
InChIInChI=1S/C13H20N4O4/c1-8-6-21-9(2)5-17(8)13(20)16-11(12(18)19)3-10-4-14-7-15-10/h4,7-9,11H,3,5-6H2,1-2H3,(H,14,15)(H,16,20)(H,18,19)/t8?,9?,11-/m1/s1
InChIKeyZIPAQELFZOBDKS-NWGYLPEXSA-N
XLogP0.22
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylazepane-1-carbonyl)amino]propanoic acid
CID 104895227
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864278
(2S)-2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61189713
(2S)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62122922
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895165
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61209208
(2R)-3-(1H-imidazol-5-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 104895259
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895316
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894982
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62944009
3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 61188935
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
CID 81085268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 104895016) is (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is CC1CN(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)C(C)CO1.
What is the InChIKey of (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is ZIPAQELFZOBDKS-NWGYLPEXSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-8-6-21-9(2)5-17(8)13(20)16-11(12(18)19)3-10-4-14-7-15-10/h4,7-9,11H,3,5-6H2,1-2H3,(H,14,15)(H,16,20)(H,18,19)/t8?,9?,11-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 296.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 104895016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).