(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid

C8H13N3O5 — CID 106192063

IUPAC(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
SMILESO=C1CC(NC(=O)N[C@H](CO)C(=O)O)CN1
InChIInChI=1S/C8H13N3O5/c12-3-5(7(14)15)11-8(16)10-4-1-6(13)9-2-4/h4-5,12H,1-3H2,(H,9,13)(H,14,15)(H2,10,11,16)/t4?,5-/m1/s1
InChIKeyMOORJFBJEHYQLU-BRJRFNKRSA-N
MW231.21 g/mol
LogP-2.38
Rot. Bonds4

About (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid (PubChem CID 106192063) has the molecular formula C8H13N3O5 and a molecular weight of 231.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
PubChem CID106192063
Molecular FormulaC8H13N3O5
Molecular Weight231.21 g/mol
Exact Mass231.09
IUPAC Name(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
SMILESO=C1CC(NC(=O)N[C@H](CO)C(=O)O)CN1
InChIInChI=1S/C8H13N3O5/c12-3-5(7(14)15)11-8(16)10-4-1-6(13)9-2-4/h4-5,12H,1-3H2,(H,9,13)(H,14,15)(H2,10,11,16)/t4?,5-/m1/s1
InChIKeyMOORJFBJEHYQLU-BRJRFNKRSA-N
XLogP-2.38
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-2.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 112734945
4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 114156284
5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156282
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106192144
1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 130625812
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 106191844
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861581

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid (CID 106192063) is (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid is O=C1CC(NC(=O)N[C@H](CO)C(=O)O)CN1.
What is the InChIKey of (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The InChIKey is MOORJFBJEHYQLU-BRJRFNKRSA-N. The full InChI is InChI=1S/C8H13N3O5/c12-3-5(7(14)15)11-8(16)10-4-1-6(13)9-2-4/h4-5,12H,1-3H2,(H,9,13)(H,14,15)(H2,10,11,16)/t4?,5-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid has a molecular weight of 231.21 g/mol, XLogP of -2.38, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 106192063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).