2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid

C6H8N2O4 — CID 155736518

IUPAC2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid
SMILESO=CN/C=C\C(=O)NCC(=O)O
InChIInChI=1S/C6H8N2O4/c9-4-7-2-1-5(10)8-3-6(11)12/h1-2,4H,3H2,(H,7,9)(H,8,10)(H,11,12)/b2-1-
InChIKeyKMMFQZHMHLMDGQ-UPHRSURJSA-N
MW172.14 g/mol
LogP-1.55
Rot. Bonds5

About 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid

2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid (PubChem CID 155736518) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid
PubChem CID155736518
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid
SMILESO=CN/C=C\C(=O)NCC(=O)O
InChIInChI=1S/C6H8N2O4/c9-4-7-2-1-5(10)8-3-6(11)12/h1-2,4H,3H2,(H,7,9)(H,8,10)(H,11,12)/b2-1-
InChIKeyKMMFQZHMHLMDGQ-UPHRSURJSA-N
XLogP-1.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxaldehydoylamino)acetic acid
CID 18960539
(Z)-4-formamidobut-3-enoic acid
CID 15944664
2-[[(E)-4-(2-methoxyethylamino)-4-oxobut-2-enoyl]amino]acetic acid
CID 100926423
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
2-(dodec-2-enoylamino)acetic acid
CID 75296754
2-formamidoacetic acid
CID 170552381
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetic acid
CID 43239068
2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid
CID 175036011
2-[[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387528
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
2-formamidoacetic acid;hydrochloride
CID 174363412

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid (CID 155736518) is 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid is O=CN/C=C\C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid?
The InChIKey is KMMFQZHMHLMDGQ-UPHRSURJSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-4-7-2-1-5(10)8-3-6(11)12/h1-2,4H,3H2,(H,7,9)(H,8,10)(H,11,12)/b2-1-.
What are the key properties of 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid?
2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid has a molecular weight of 172.14 g/mol, XLogP of -1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid is sourced from PubChem (CID 155736518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).