2-(2-aminoprop-2-enoylamino)prop-2-enoic acid

C6H8N2O3 — CID 87918461

IUPAC2-(2-aminoprop-2-enoylamino)prop-2-enoic acid
SMILESC=C(N)C(=O)NC(=C)C(=O)O
InChIInChI=1S/C6H8N2O3/c1-3(7)5(9)8-4(2)6(10)11/h1-2,7H2,(H,8,9)(H,10,11)
InChIKeyFDYBJUIKMDQYQS-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.83
Rot. Bonds3

About 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid

2-(2-aminoprop-2-enoylamino)prop-2-enoic acid (PubChem CID 87918461) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-aminoprop-2-enoylamino)prop-2-enoic acid
PubChem CID87918461
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(2-aminoprop-2-enoylamino)prop-2-enoic acid
SMILESC=C(N)C(=O)NC(=C)C(=O)O
InChIInChI=1S/C6H8N2O3/c1-3(7)5(9)8-4(2)6(10)11/h1-2,7H2,(H,8,9)(H,10,11)
InChIKeyFDYBJUIKMDQYQS-UHFFFAOYSA-N
XLogP-0.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.83
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid?
The IUPAC name of 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid (CID 87918461) is 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid.
What is the SMILES notation for 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid?
The canonical SMILES for 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid is C=C(N)C(=O)NC(=C)C(=O)O.
What is the InChIKey of 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid?
The InChIKey is FDYBJUIKMDQYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3(7)5(9)8-4(2)6(10)11/h1-2,7H2,(H,8,9)(H,10,11).
What are the key properties of 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid?
2-(2-aminoprop-2-enoylamino)prop-2-enoic acid has a molecular weight of 156.14 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoprop-2-enoylamino)prop-2-enoic acid is sourced from PubChem (CID 87918461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).