3-(carbamoylamino)-2-hydroxypropanoic acid

C4H8N2O4 — CID 54356605

IUPAC3-(carbamoylamino)-2-hydroxypropanoic acid
SMILESNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C4H8N2O4/c5-4(10)6-1-2(7)3(8)9/h2,7H,1H2,(H,8,9)(H3,5,6,10)
InChIKeyUJNWFCWKTTWLPE-UHFFFAOYSA-N
MW148.12 g/mol
LogP-1.90
Rot. Bonds3

About 3-(carbamoylamino)-2-hydroxypropanoic acid

3-(carbamoylamino)-2-hydroxypropanoic acid (PubChem CID 54356605) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 3-(carbamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(carbamoylamino)-2-hydroxypropanoic acid
PubChem CID54356605
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name3-(carbamoylamino)-2-hydroxypropanoic acid
SMILESNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C4H8N2O4/c5-4(10)6-1-2(7)3(8)9/h2,7H,1H2,(H,8,9)(H3,5,6,10)
InChIKeyUJNWFCWKTTWLPE-UHFFFAOYSA-N
XLogP-1.90
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(carbamoylamino)-2-hydroxypropanoic acid (CID 54356605) is 3-(carbamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(carbamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(carbamoylamino)-2-hydroxypropanoic acid is NC(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-(carbamoylamino)-2-hydroxypropanoic acid?
The InChIKey is UJNWFCWKTTWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c5-4(10)6-1-2(7)3(8)9/h2,7H,1H2,(H,8,9)(H3,5,6,10).
What are the key properties of 3-(carbamoylamino)-2-hydroxypropanoic acid?
3-(carbamoylamino)-2-hydroxypropanoic acid has a molecular weight of 148.12 g/mol, XLogP of -1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 54356605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).