2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid

C8H13N3O4 — CID 79275995

IUPAC2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCC(N)=O
InChIInChI=1S/C8H13N3O4/c1-2-3-11(5-7(13)14)8(15)10-4-6(9)12/h2H,1,3-5H2,(H2,9,12)(H,10,15)(H,13,14)
InChIKeyKFLYMSLCGUCVLO-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.25
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid

2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid (PubChem CID 79275995) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
PubChem CID79275995
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCC(N)=O
InChIInChI=1S/C8H13N3O4/c1-2-3-11(5-7(13)14)8(15)10-4-6(9)12/h2H,1,3-5H2,(H2,9,12)(H,10,15)(H,13,14)
InChIKeyKFLYMSLCGUCVLO-UHFFFAOYSA-N
XLogP-1.25
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-difluoroethylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 115408164
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid
CID 61193722
2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276797
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid
CID 79277072
2-[4-methylpentylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79286173
2-[4-methoxybutylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79275399
2-[pentan-3-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276869
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
2-[(2-ethylphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285251
2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid
CID 79276375
2-[(1,1-dioxothiolan-3-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285118

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid (CID 79275995) is 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)NCC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid?
The InChIKey is KFLYMSLCGUCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-2-3-11(5-7(13)14)8(15)10-4-6(9)12/h2H,1,3-5H2,(H2,9,12)(H,10,15)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid?
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid has a molecular weight of 215.21 g/mol, XLogP of -1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).