benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen

C11H17NO2 — CID 144967680

IUPACbenzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
SMILESCN[C@@H](C)C(=O)OCc1ccccc1.[H][H]
InChIInChI=1S/C11H15NO2.H2/c1-9(12-2)11(13)14-8-10-6-4-3-5-7-10;/h3-7,9,12H,8H2,1-2H3;1H/t9-;/m0./s1
InChIKeyNJUIYDYTDXEWQH-FVGYRXGTSA-N
MW195.26 g/mol
LogP1.58
Rot. Bonds4

About benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen

benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen (PubChem CID 144967680) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen.

Molecular Properties

Compound Namebenzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
PubChem CID144967680
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namebenzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
SMILESCN[C@@H](C)C(=O)OCc1ccccc1.[H][H]
InChIInChI=1S/C11H15NO2.H2/c1-9(12-2)11(13)14-8-10-6-4-3-5-7-10;/h3-7,9,12H,8H2,1-2H3;1H/t9-;/m0./s1
InChIKeyNJUIYDYTDXEWQH-FVGYRXGTSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
benzyl (2S)-3-methyl-2-(methylamino)butanoate
CID 7020231
benzyl (2R)-4-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]pentanoate
CID 59779081
(3-methylphenyl)methyl 2-(methylamino)propanoate
CID 145274403
benzyl (2R)-5-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]hexanoate
CID 138545484
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
(4S)-4-(methylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 59366990
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
(3R)-3-amino-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanoic acid
CID 102425705
benzyl 2-(cyclopentylamino)propanoate
CID 123711216

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen?
The IUPAC name of benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen (CID 144967680) is benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen.
What is the SMILES notation for benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen?
The canonical SMILES for benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen is CN[C@@H](C)C(=O)OCc1ccccc1.[H][H].
What is the InChIKey of benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen?
The InChIKey is NJUIYDYTDXEWQH-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H15NO2.H2/c1-9(12-2)11(13)14-8-10-6-4-3-5-7-10;/h3-7,9,12H,8H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen?
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen has a molecular weight of 195.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen is sourced from PubChem (CID 144967680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).