2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid

C10H17N3O6 — CID 83095908

IUPAC2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)N1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-5(14)7(9(16)17)12-10(18)13-2-3-19-4-6(13)8(11)15/h5-7,14H,2-4H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeyBUIKRHCDWHFHNM-UHFFFAOYSA-N
MW275.26 g/mol
LogP-2.28
Rot. Bonds4

About 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid

2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 83095908) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID83095908
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)N1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-5(14)7(9(16)17)12-10(18)13-2-3-19-4-6(13)8(11)15/h5-7,14H,2-4H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeyBUIKRHCDWHFHNM-UHFFFAOYSA-N
XLogP-2.28
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
4-N-[4-(1-hydroxyethyl)phenyl]morpholine-3,4-dicarboxamide
CID 83098981
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
2-(3-carbamoylmorpholine-4-carbonyl)-3,3-dimethylbutanoic acid
CID 116537416
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
(2S,3R)-2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-3-hydroxybutanoic acid
CID 104966101
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid
CID 83095443

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid (CID 83095908) is 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)N1CCOCC1C(N)=O)C(=O)O.
What is the InChIKey of 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is BUIKRHCDWHFHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-5(14)7(9(16)17)12-10(18)13-2-3-19-4-6(13)8(11)15/h5-7,14H,2-4H2,1H3,(H2,11,15)(H,12,18)(H,16,17).
What are the key properties of 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid?
2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 275.26 g/mol, XLogP of -2.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 83095908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).