2-(ethenylcarbamoylamino)propanoic acid

C6H10N2O3 — CID 108909097

IUPAC2-(ethenylcarbamoylamino)propanoic acid
SMILESC=CNC(=O)NC(C)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-3-7-6(11)8-4(2)5(9)10/h3-4H,1H2,2H3,(H,9,10)(H2,7,8,11)
InChIKeyBAXYWYVNLIPWJM-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.10
Rot. Bonds3

About 2-(ethenylcarbamoylamino)propanoic acid

2-(ethenylcarbamoylamino)propanoic acid (PubChem CID 108909097) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(ethenylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(ethenylcarbamoylamino)propanoic acid
PubChem CID108909097
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-(ethenylcarbamoylamino)propanoic acid
SMILESC=CNC(=O)NC(C)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-3-7-6(11)8-4(2)5(9)10/h3-4H,1H2,2H3,(H,9,10)(H2,7,8,11)
InChIKeyBAXYWYVNLIPWJM-UHFFFAOYSA-N
XLogP-0.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoylamino]propanoic acid
CID 108914996
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
1-[(3S)-2,5-dioxohexan-3-yl]-3-ethenylurea
CID 59559122
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526
(2S)-2-(3-deuterioprop-2-enoylamino)propanoic acid
CID 139775909
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
CID 104865758
2-(carbamothioylamino)propanoic acid;hydrochloride
CID 141048433
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
CID 178159250
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(ethenylcarbamoylamino)propanoic acid (CID 108909097) is 2-(ethenylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(ethenylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(ethenylcarbamoylamino)propanoic acid is C=CNC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(ethenylcarbamoylamino)propanoic acid?
The InChIKey is BAXYWYVNLIPWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-7-6(11)8-4(2)5(9)10/h3-4H,1H2,2H3,(H,9,10)(H2,7,8,11).
What are the key properties of 2-(ethenylcarbamoylamino)propanoic acid?
2-(ethenylcarbamoylamino)propanoic acid has a molecular weight of 158.16 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylcarbamoylamino)propanoic acid is sourced from PubChem (CID 108909097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).