ethyl 2-(phosphanylamino)butanoate

C6H14NO2P — CID 89105110

IUPACethyl 2-(phosphanylamino)butanoate
SMILESCCOC(=O)C(CC)NP
InChIInChI=1S/C6H14NO2P/c1-3-5(7-10)6(8)9-4-2/h5,7H,3-4,10H2,1-2H3
InChIKeyQTCDQYMIMPLNBW-UHFFFAOYSA-N
MW163.16 g/mol
LogP0.71
Rot. Bonds4

About ethyl 2-(phosphanylamino)butanoate

ethyl 2-(phosphanylamino)butanoate (PubChem CID 89105110) has the molecular formula C6H14NO2P and a molecular weight of 163.16 g/mol. Its IUPAC name is ethyl 2-(phosphanylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(phosphanylamino)butanoate
PubChem CID89105110
Molecular FormulaC6H14NO2P
Molecular Weight163.16 g/mol
Exact Mass163.08
IUPAC Nameethyl 2-(phosphanylamino)butanoate
SMILESCCOC(=O)C(CC)NP
InChIInChI=1S/C6H14NO2P/c1-3-5(7-10)6(8)9-4-2/h5,7H,3-4,10H2,1-2H3
InChIKeyQTCDQYMIMPLNBW-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(phosphanylamino)butanoate 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

ethyl 2-(phosphanylamino)pentanoate
CID 59113606
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl 2-(ethenylamino)butanoate
CID 144998787
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]butanoate
CID 107852404
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
ethyl 2-(2-ethoxyethylamino)butanoate
CID 64668942
ethyl 2-(3-methylbut-2-enylamino)butanoate
CID 106188404
ethyl 2-(pent-1-yn-3-ylamino)butanoate
CID 106229183
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 2-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64670192
ethyl 2-[(5-amino-5-oxopentyl)amino]butanoate
CID 106237052
ethyl 2-(heptan-2-ylamino)butanoate
CID 64668767

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phosphanylamino)butanoate?
The IUPAC name of ethyl 2-(phosphanylamino)butanoate (CID 89105110) is ethyl 2-(phosphanylamino)butanoate.
What is the SMILES notation for ethyl 2-(phosphanylamino)butanoate?
The canonical SMILES for ethyl 2-(phosphanylamino)butanoate is CCOC(=O)C(CC)NP.
What is the InChIKey of ethyl 2-(phosphanylamino)butanoate?
The InChIKey is QTCDQYMIMPLNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2P/c1-3-5(7-10)6(8)9-4-2/h5,7H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-(phosphanylamino)butanoate?
ethyl 2-(phosphanylamino)butanoate has a molecular weight of 163.16 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phosphanylamino)butanoate is sourced from PubChem (CID 89105110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).