methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid

C6H12NO3P — CID 167585603

IUPACmethyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid
SMILESC=CC(=O)NCCP(C)(=O)O
InChIInChI=1S/C6H12NO3P/c1-3-6(8)7-4-5-11(2,9)10/h3H,1,4-5H2,2H3,(H,7,8)(H,9,10)
InChIKeyKYHHODPFUOPZGJ-UHFFFAOYSA-N
MW177.14 g/mol
LogP0.19
Rot. Bonds4

About methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid

methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid (PubChem CID 167585603) has the molecular formula C6H12NO3P and a molecular weight of 177.14 g/mol. Its IUPAC name is methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid
PubChem CID167585603
Molecular FormulaC6H12NO3P
Molecular Weight177.14 g/mol
Exact Mass177.06
IUPAC Namemethyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid
SMILESC=CC(=O)NCCP(C)(=O)O
InChIInChI=1S/C6H12NO3P/c1-3-6(8)7-4-5-11(2,9)10/h3H,1,4-5H2,2H3,(H,7,8)(H,9,10)
InChIKeyKYHHODPFUOPZGJ-UHFFFAOYSA-N
XLogP0.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 50.19
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

ethane;molecular hydrogen;phosphonooxy-[2-(prop-2-enoylamino)ethyl]phosphinic acid
CID 142605753
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
CID 173161904
CID 173161904
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
CID 144591746
N-(4-aminobut-3-enyl)prop-2-enamide
CID 174483011

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid?
The IUPAC name of methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid (CID 167585603) is methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid.
What is the SMILES notation for methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid?
The canonical SMILES for methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid is C=CC(=O)NCCP(C)(=O)O.
What is the InChIKey of methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid?
The InChIKey is KYHHODPFUOPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO3P/c1-3-6(8)7-4-5-11(2,9)10/h3H,1,4-5H2,2H3,(H,7,8)(H,9,10).
What are the key properties of methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid?
methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid has a molecular weight of 177.14 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid is sourced from PubChem (CID 167585603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).