3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide

C6H13N2OP — CID 88926726

IUPAC3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide
SMILESC=C(N)CC(=O)N[C@H](C)P
InChIInChI=1S/C6H13N2OP/c1-4(7)3-6(9)8-5(2)10/h5H,1,3,7,10H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyUWBXSEPXCZAGDJ-YFKPBYRVSA-N
MW160.16 g/mol
LogP0.19
Rot. Bonds3

About 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide

3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide (PubChem CID 88926726) has the molecular formula C6H13N2OP and a molecular weight of 160.16 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide
PubChem CID88926726
Molecular FormulaC6H13N2OP
Molecular Weight160.16 g/mol
Exact Mass160.08
IUPAC Name3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide
SMILESC=C(N)CC(=O)N[C@H](C)P
InChIInChI=1S/C6H13N2OP/c1-4(7)3-6(9)8-5(2)10/h5H,1,3,7,10H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyUWBXSEPXCZAGDJ-YFKPBYRVSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide?
The IUPAC name of 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide (CID 88926726) is 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide?
The canonical SMILES for 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide is C=C(N)CC(=O)N[C@H](C)P.
What is the InChIKey of 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide?
The InChIKey is UWBXSEPXCZAGDJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13N2OP/c1-4(7)3-6(9)8-5(2)10/h5H,1,3,7,10H2,2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide?
3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide has a molecular weight of 160.16 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-phosphanylethyl]but-3-enamide is sourced from PubChem (CID 88926726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).