2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid

C5H8N2O3 — CID 163288284

IUPAC2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid
SMILESC=C(NCC(=O)O)C(N)=O
InChIInChI=1S/C5H8N2O3/c1-3(5(6)10)7-2-4(8)9/h7H,1-2H2,(H2,6,10)(H,8,9)
InChIKeyCLMDLRTZUOMBGL-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.34
Rot. Bonds4

About 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid

2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid (PubChem CID 163288284) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid
PubChem CID163288284
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid
SMILESC=C(NCC(=O)O)C(N)=O
InChIInChI=1S/C5H8N2O3/c1-3(5(6)10)7-2-4(8)9/h7H,1-2H2,(H2,6,10)(H,8,9)
InChIKeyCLMDLRTZUOMBGL-UHFFFAOYSA-N
XLogP-1.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Glycyldehydroalanine
CID 99279
2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]prop-2-enoic acid
CID 306112
2-(2-Acetamidoprop-2-enoylamino)acetic acid
CID 11229201
Dehydroalanyl-glycine
CID 129821850
2-(2-Aminoprop-2-enoylamino)prop-2-enoic acid
CID 87918461
2-[(2-Acetamidoacetyl)amino]prop-2-enoic acid
CID 88738626
2-[3-(Methylamino)prop-1-en-2-ylamino]acetic acid
CID 89355989
2-[[1,1-Diamino-3-(methylamino)-3-oxoprop-1-en-2-yl]amino]acetic acid
CID 90071495
2-[3-[(2-Aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid
CID 90385984
2-[2-(Methylideneamino)prop-2-enoylamino]acetic acid
CID 123745862
2-[[(Z)-2-amino-3-(methylamino)prop-2-enyl]amino]acetic acid
CID 148983646
2-[2-(Prop-2-enoylamino)prop-2-enoylamino]acetic acid
CID 149999257

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid?
The IUPAC name of 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid (CID 163288284) is 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid is C=C(NCC(=O)O)C(N)=O.
What is the InChIKey of 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid?
The InChIKey is CLMDLRTZUOMBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3(5(6)10)7-2-4(8)9/h7H,1-2H2,(H2,6,10)(H,8,9).
What are the key properties of 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid?
2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid has a molecular weight of 144.13 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-oxoprop-1-en-2-yl)amino]acetic acid is sourced from PubChem (CID 163288284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).