ethyl 2-(phosphanylamino)pentanoate

C7H16NO2P — CID 59113606

IUPACethyl 2-(phosphanylamino)pentanoate
SMILESCCCC(NP)C(=O)OCC
InChIInChI=1S/C7H16NO2P/c1-3-5-6(8-11)7(9)10-4-2/h6,8H,3-5,11H2,1-2H3
InChIKeyIDKWIJOVIXYTAL-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-(phosphanylamino)pentanoate

ethyl 2-(phosphanylamino)pentanoate (PubChem CID 59113606) has the molecular formula C7H16NO2P and a molecular weight of 177.18 g/mol. Its IUPAC name is ethyl 2-(phosphanylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(phosphanylamino)pentanoate
PubChem CID59113606
Molecular FormulaC7H16NO2P
Molecular Weight177.18 g/mol
Exact Mass177.09
IUPAC Nameethyl 2-(phosphanylamino)pentanoate
SMILESCCCC(NP)C(=O)OCC
InChIInChI=1S/C7H16NO2P/c1-3-5-6(8-11)7(9)10-4-2/h6,8H,3-5,11H2,1-2H3
InChIKeyIDKWIJOVIXYTAL-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(phosphanylamino)butanoate
CID 89105110
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 2-[(2-chloroacetyl)amino]pentanoate
CID 176548507
(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate
CID 59838569
ethyl 2-[(1-chloro-1-oxopropan-2-yl)amino]pentanoate
CID 58903047
tetradecyl 2-(ethoxycarbonylamino)pentanoate
CID 91718836
ethyl 2-(3-methylbut-2-enylamino)pentanoate
CID 103520467
ethyl 2-(pyrrol-1-ylamino)pentanoate
CID 83041117
ethyl 2-(5,5,5-trifluoropentylamino)pentanoate
CID 115496244

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phosphanylamino)pentanoate?
The IUPAC name of ethyl 2-(phosphanylamino)pentanoate (CID 59113606) is ethyl 2-(phosphanylamino)pentanoate.
What is the SMILES notation for ethyl 2-(phosphanylamino)pentanoate?
The canonical SMILES for ethyl 2-(phosphanylamino)pentanoate is CCCC(NP)C(=O)OCC.
What is the InChIKey of ethyl 2-(phosphanylamino)pentanoate?
The InChIKey is IDKWIJOVIXYTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2P/c1-3-5-6(8-11)7(9)10-4-2/h6,8H,3-5,11H2,1-2H3.
What are the key properties of ethyl 2-(phosphanylamino)pentanoate?
ethyl 2-(phosphanylamino)pentanoate has a molecular weight of 177.18 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phosphanylamino)pentanoate is sourced from PubChem (CID 59113606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).