ethyl 2-(1-phenylbutan-2-ylamino)propanoate

C15H23NO2 — CID 79008142

IUPACethyl 2-(1-phenylbutan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC(CC)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-14(11-13-9-7-6-8-10-13)16-12(3)15(17)18-5-2/h6-10,12,14,16H,4-5,11H2,1-3H3
InChIKeyXQDJZDDABLVGCX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds7

About ethyl 2-(1-phenylbutan-2-ylamino)propanoate

ethyl 2-(1-phenylbutan-2-ylamino)propanoate (PubChem CID 79008142) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-(1-phenylbutan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-phenylbutan-2-ylamino)propanoate
PubChem CID79008142
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-(1-phenylbutan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC(CC)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-14(11-13-9-7-6-8-10-13)16-12(3)15(17)18-5-2/h6-10,12,14,16H,4-5,11H2,1-3H3
InChIKeyXQDJZDDABLVGCX-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[(1-tert-butylsulfonyl-3-phenylpropan-2-yl)amino]propanoate
CID 70073734
methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
CID 63261414
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
2-(1-phenylpentan-2-ylamino)propanoic acid
CID 122035581
ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
CID 69028409
3-phenyl-2-[[(2S)-1,1,1-trideuterio-3-ethoxy-3-oxopropan-2-yl]amino]propanoic acid
CID 164810275
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phenylbutan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-(1-phenylbutan-2-ylamino)propanoate (CID 79008142) is ethyl 2-(1-phenylbutan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(1-phenylbutan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-(1-phenylbutan-2-ylamino)propanoate is CCOC(=O)C(C)NC(CC)Cc1ccccc1.
What is the InChIKey of ethyl 2-(1-phenylbutan-2-ylamino)propanoate?
The InChIKey is XQDJZDDABLVGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-14(11-13-9-7-6-8-10-13)16-12(3)15(17)18-5-2/h6-10,12,14,16H,4-5,11H2,1-3H3.
What are the key properties of ethyl 2-(1-phenylbutan-2-ylamino)propanoate?
ethyl 2-(1-phenylbutan-2-ylamino)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phenylbutan-2-ylamino)propanoate is sourced from PubChem (CID 79008142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).