(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid

C12H21N3O6 — CID 83104546

IUPAC(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCCCNC(=O)C1COCCN1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-2-3-13-10(17)9-7-21-5-4-15(9)12(20)14-8(6-16)11(18)19/h8-9,16H,2-7H2,1H3,(H,13,17)(H,14,20)(H,18,19)/t8-,9?/m0/s1
InChIKeyCUOQPWZFONYBOB-IENPIDJESA-N
MW303.32 g/mol
LogP-1.63
Rot. Bonds6

About (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid (PubChem CID 83104546) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
PubChem CID83104546
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCCCNC(=O)C1COCCN1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-2-3-13-10(17)9-7-21-5-4-15(9)12(20)14-8(6-16)11(18)19/h8-9,16H,2-7H2,1H3,(H,13,17)(H,14,20)(H,18,19)/t8-,9?/m0/s1
InChIKeyCUOQPWZFONYBOB-IENPIDJESA-N
XLogP-1.63
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]pent-4-enoic acid
CID 83104278
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid (CID 83104546) is (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid is CCCNC(=O)C1COCCN1C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The InChIKey is CUOQPWZFONYBOB-IENPIDJESA-N. The full InChI is InChI=1S/C12H21N3O6/c1-2-3-13-10(17)9-7-21-5-4-15(9)12(20)14-8(6-16)11(18)19/h8-9,16H,2-7H2,1H3,(H,13,17)(H,14,20)(H,18,19)/t8-,9?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid has a molecular weight of 303.32 g/mol, XLogP of -1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 83104546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).