2-(phosphanylamino)prop-2-enoic acid

C3H6NO2P — CID 135183318

IUPAC2-(phosphanylamino)prop-2-enoic acid
SMILESC=C(NP)C(=O)O
InChIInChI=1S/C3H6NO2P/c1-2(4-7)3(5)6/h4H,1,7H2,(H,5,6)
InChIKeyOLFQLWWDVVAXNW-UHFFFAOYSA-N
MW119.06 g/mol
LogP-0.04
Rot. Bonds2

About 2-(phosphanylamino)prop-2-enoic acid

2-(phosphanylamino)prop-2-enoic acid (PubChem CID 135183318) has the molecular formula C3H6NO2P and a molecular weight of 119.06 g/mol. Its IUPAC name is 2-(phosphanylamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(phosphanylamino)prop-2-enoic acid
PubChem CID135183318
Molecular FormulaC3H6NO2P
Molecular Weight119.06 g/mol
Exact Mass119.01
IUPAC Name2-(phosphanylamino)prop-2-enoic acid
SMILESC=C(NP)C(=O)O
InChIInChI=1S/C3H6NO2P/c1-2(4-7)3(5)6/h4H,1,7H2,(H,5,6)
InChIKeyOLFQLWWDVVAXNW-UHFFFAOYSA-N
XLogP-0.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.06
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxyamino)prop-2-enoic acid
CID 56613319
2-[1-hydroxyethenyl(propan-2-yl)amino]-2-oxoacetic acid
CID 122548968
azane;2-hydroxyprop-2-enoic acid
CID 158386305
2-(sulfinoamino)prop-2-enoic acid
CID 91135550
N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
2-methylidenepropanedioic acid;hydrate
CID 158875494
1-(phosphanylamino)ethenethiol
CID 144531445
phosphanylcarbamothioic S-acid
CID 23496756
2-[methyl(propan-2-yl)amino]prop-2-enoic acid
CID 174803803
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
2-fluoroprop-2-enoic acid;hydrochloride
CID 87142297
2-chloroprop-2-enoic acid;gallane
CID 173230752

Frequently Asked Questions

What is the IUPAC name of 2-(phosphanylamino)prop-2-enoic acid?
The IUPAC name of 2-(phosphanylamino)prop-2-enoic acid (CID 135183318) is 2-(phosphanylamino)prop-2-enoic acid.
What is the SMILES notation for 2-(phosphanylamino)prop-2-enoic acid?
The canonical SMILES for 2-(phosphanylamino)prop-2-enoic acid is C=C(NP)C(=O)O.
What is the InChIKey of 2-(phosphanylamino)prop-2-enoic acid?
The InChIKey is OLFQLWWDVVAXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2P/c1-2(4-7)3(5)6/h4H,1,7H2,(H,5,6).
What are the key properties of 2-(phosphanylamino)prop-2-enoic acid?
2-(phosphanylamino)prop-2-enoic acid has a molecular weight of 119.06 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphanylamino)prop-2-enoic acid is sourced from PubChem (CID 135183318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).