benzyl (4S)-4-amino-5-phenylmethoxypentanoate

C19H23NO3 — CID 146536432

IUPACbenzyl (4S)-4-amino-5-phenylmethoxypentanoate
SMILESN[C@@H](CCC(=O)OCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H23NO3/c20-18(15-22-13-16-7-3-1-4-8-16)11-12-19(21)23-14-17-9-5-2-6-10-17/h1-10,18H,11-15,20H2/t18-/m0/s1
InChIKeyNDWBYFWTHQLXID-SFHVURJKSA-N
MW313.40 g/mol
LogP3.05
Rot. Bonds9

About benzyl (4S)-4-amino-5-phenylmethoxypentanoate

benzyl (4S)-4-amino-5-phenylmethoxypentanoate (PubChem CID 146536432) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is benzyl (4S)-4-amino-5-phenylmethoxypentanoate.

Molecular Properties

Compound Namebenzyl (4S)-4-amino-5-phenylmethoxypentanoate
PubChem CID146536432
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namebenzyl (4S)-4-amino-5-phenylmethoxypentanoate
SMILESN[C@@H](CCC(=O)OCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H23NO3/c20-18(15-22-13-16-7-3-1-4-8-16)11-12-19(21)23-14-17-9-5-2-6-10-17/h1-10,18H,11-15,20H2/t18-/m0/s1
InChIKeyNDWBYFWTHQLXID-SFHVURJKSA-N
XLogP3.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
benzyl (4S)-4-fluoropentanoate
CID 162416936
benzyl 4-acetyloxy-4-aminobutanoate
CID 138751106
(2S,3S)-2-amino-3-methyl-6-oxo-6-phenylmethoxyhexanoic acid
CID 70073990
benzyl (4S)-4-amino-6-methyl-5-oxoheptanoate
CID 126547548
methyl (3S)-3-amino-4-phenylmethoxybutanoate;hydrochloride
CID 67998622
benzyl 5-hydroxy-4-methylpentanoate
CID 70002041
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
benzyl 4-amino-5-oxooctanoate
CID 123170480
benzyl 5,5,5-trifluoro-4-phenylmethoxypentanoate
CID 121340314
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 131739350

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-amino-5-phenylmethoxypentanoate?
The IUPAC name of benzyl (4S)-4-amino-5-phenylmethoxypentanoate (CID 146536432) is benzyl (4S)-4-amino-5-phenylmethoxypentanoate.
What is the SMILES notation for benzyl (4S)-4-amino-5-phenylmethoxypentanoate?
The canonical SMILES for benzyl (4S)-4-amino-5-phenylmethoxypentanoate is N[C@@H](CCC(=O)OCc1ccccc1)COCc1ccccc1.
What is the InChIKey of benzyl (4S)-4-amino-5-phenylmethoxypentanoate?
The InChIKey is NDWBYFWTHQLXID-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3/c20-18(15-22-13-16-7-3-1-4-8-16)11-12-19(21)23-14-17-9-5-2-6-10-17/h1-10,18H,11-15,20H2/t18-/m0/s1.
What are the key properties of benzyl (4S)-4-amino-5-phenylmethoxypentanoate?
benzyl (4S)-4-amino-5-phenylmethoxypentanoate has a molecular weight of 313.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-amino-5-phenylmethoxypentanoate is sourced from PubChem (CID 146536432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).