(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate

C13H16N2O5 — CID 15612755

IUPAC(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(N)=O
InChIInChI=1S/C13H16N2O5/c1-9(12(17)19-8-11(14)16)15-13(18)20-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,16)(H,15,18)/t9-/m0/s1
InChIKeyAHGKYSYWOZERHU-VIFPVBQESA-N
MW280.28 g/mol
LogP0.33
Rot. Bonds6

About (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate

(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 15612755) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID15612755
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(N)=O
InChIInChI=1S/C13H16N2O5/c1-9(12(17)19-8-11(14)16)15-13(18)20-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,16)(H,15,18)/t9-/m0/s1
InChIKeyAHGKYSYWOZERHU-VIFPVBQESA-N
XLogP0.33
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 11139956
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
octyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699627
pentadecyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699643
benzyl N-[(2S)-4-chloro-3-oxobutan-2-yl]carbamate
CID 5491980
acetyl chloride;2-(phenylmethoxycarbonylamino)propanoic acid
CID 71437616
benzyl N-(4-chloro-3-oxobutan-2-yl)carbamate
CID 14021709
methyl (3R)-2-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 58773464

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate (CID 15612755) is (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate is C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is AHGKYSYWOZERHU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O5/c1-9(12(17)19-8-11(14)16)15-13(18)20-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,16)(H,15,18)/t9-/m0/s1.
What are the key properties of (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate?
(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 280.28 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 15612755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).