benzyl (2S)-2-(benzylamino)propanoate

C17H19NO2 — CID 15488196

IUPACbenzyl (2S)-2-(benzylamino)propanoate
SMILESC[C@H](NCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-14(18-12-15-8-4-2-5-9-15)17(19)20-13-16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3/t14-/m0/s1
InChIKeyBSBXDVJUMYWECB-AWEZNQCLSA-N
MW269.34 g/mol
LogP2.91
Rot. Bonds6

About benzyl (2S)-2-(benzylamino)propanoate

benzyl (2S)-2-(benzylamino)propanoate (PubChem CID 15488196) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is benzyl (2S)-2-(benzylamino)propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-(benzylamino)propanoate
PubChem CID15488196
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namebenzyl (2S)-2-(benzylamino)propanoate
SMILESC[C@H](NCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-14(18-12-15-8-4-2-5-9-15)17(19)20-13-16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3/t14-/m0/s1
InChIKeyBSBXDVJUMYWECB-AWEZNQCLSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 2-(benzylamino)propanoate
CID 91349755
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
2-(benzylamino)-3-oxo-3-phenylmethoxypropanoic acid
CID 22016839
benzyl (3S)-3-(benzylamino)-4-methylpentanoate
CID 101135569
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498
benzyl (2S)-2-[3-[(2-methylpropan-2-yl)oxy]propylamino]propanoate
CID 67506981
benzyl (2S)-2-aminopropanoate
CID 726858
(2S)-4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-2-(phenylmethoxycarbonylamino)butanoic acid
CID 175431943
benzyl 2-acetyl-3-oxobutanoate
CID 15496135
(3R)-3-amino-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanoic acid
CID 102425705

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(benzylamino)propanoate?
The IUPAC name of benzyl (2S)-2-(benzylamino)propanoate (CID 15488196) is benzyl (2S)-2-(benzylamino)propanoate.
What is the SMILES notation for benzyl (2S)-2-(benzylamino)propanoate?
The canonical SMILES for benzyl (2S)-2-(benzylamino)propanoate is C[C@H](NCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(benzylamino)propanoate?
The InChIKey is BSBXDVJUMYWECB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14(18-12-15-8-4-2-5-9-15)17(19)20-13-16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3/t14-/m0/s1.
What are the key properties of benzyl (2S)-2-(benzylamino)propanoate?
benzyl (2S)-2-(benzylamino)propanoate has a molecular weight of 269.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(benzylamino)propanoate is sourced from PubChem (CID 15488196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).