ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate

C16H24N2O3 — CID 61158556

IUPACethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)[C@@H](N)Cc1ccccc1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-21-15(19)11-18(12(2)3)16(20)14(17)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,17H2,1-3H3/t14-/m0/s1
InChIKeyOHUDOIZOOYWIQB-AWEZNQCLSA-N
MW292.38 g/mol
LogP1.36
Rot. Bonds7

About ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate

ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate (PubChem CID 61158556) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
PubChem CID61158556
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)[C@@H](N)Cc1ccccc1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-21-15(19)11-18(12(2)3)16(20)14(17)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,17H2,1-3H3/t14-/m0/s1
InChIKeyOHUDOIZOOYWIQB-AWEZNQCLSA-N
XLogP1.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
CID 61164393
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 61163368
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-[3-phenylprop-2-ynoyl(propan-2-yl)amino]acetate
CID 61021309
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate (CID 61158556) is ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)[C@@H](N)Cc1ccccc1)C(C)C.
What is the InChIKey of ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate?
The InChIKey is OHUDOIZOOYWIQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-15(19)11-18(12(2)3)16(20)14(17)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,17H2,1-3H3/t14-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate?
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate has a molecular weight of 292.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61158556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).