2-(carbamoylamino)propanoate

C4H7N2O3- — CID 21322469

IUPAC2-(carbamoylamino)propanoate
SMILESCC(NC(N)=O)C(=O)[O-]
InChIInChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/p-1
InChIKeyLUSWEUMSEVLFEQ-UHFFFAOYSA-M
MW131.11 g/mol
LogP-2.21
Rot. Bonds2

About 2-(carbamoylamino)propanoate

2-(carbamoylamino)propanoate (PubChem CID 21322469) has the molecular formula C4H7N2O3- and a molecular weight of 131.11 g/mol. Its IUPAC name is 2-(carbamoylamino)propanoate.

Molecular Properties

Compound Name2-(carbamoylamino)propanoate
PubChem CID21322469
Molecular FormulaC4H7N2O3-
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name2-(carbamoylamino)propanoate
SMILESCC(NC(N)=O)C(=O)[O-]
InChIInChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/p-1
InChIKeyLUSWEUMSEVLFEQ-UHFFFAOYSA-M
XLogP-2.21
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Carbamoylamino)propanoic acid
CID 426409
(2S)-2-(carbamoylamino)propanoic acid
CID 1535936
2-(carbamoylamino)butanoic Acid
CID 4095663
N-Carbamoyl-Alanine
CID 1535935
N'-Isopropylureidoacetic acid
CID 541553
Methyl 2-(3-isopropylureido)acetate
CID 43409327
N-carbamoyl-L-valinate
CID 6951086
N-carbamoyl-L-alaninate
CID 6988658
N-carbamoyl-L-cysteinate(1-)
CID 40507900
2-(Fluorocarbamoylamino)propanoic acid
CID 71437040
Carbonylbisalanin
CID 14332789
beta-amino-N-methyl lanine
CID 76121735

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)propanoate?
The IUPAC name of 2-(carbamoylamino)propanoate (CID 21322469) is 2-(carbamoylamino)propanoate.
What is the SMILES notation for 2-(carbamoylamino)propanoate?
The canonical SMILES for 2-(carbamoylamino)propanoate is CC(NC(N)=O)C(=O)[O-].
What is the InChIKey of 2-(carbamoylamino)propanoate?
The InChIKey is LUSWEUMSEVLFEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/p-1.
What are the key properties of 2-(carbamoylamino)propanoate?
2-(carbamoylamino)propanoate has a molecular weight of 131.11 g/mol, XLogP of -2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)propanoate is sourced from PubChem (CID 21322469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).