benzyl 2-amino-3-hydroxypentanoate

C12H17NO3 — CID 68991672

IUPACbenzyl 2-amino-3-hydroxypentanoate
SMILESCCC(O)C(N)C(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-10(14)11(13)12(15)16-8-9-6-4-3-5-7-9/h3-7,10-11,14H,2,8,13H2,1H3
InChIKeyGSVSHQPDHQACJY-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.83
Rot. Bonds5

About benzyl 2-amino-3-hydroxypentanoate

benzyl 2-amino-3-hydroxypentanoate (PubChem CID 68991672) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is benzyl 2-amino-3-hydroxypentanoate.

Molecular Properties

Compound Namebenzyl 2-amino-3-hydroxypentanoate
PubChem CID68991672
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namebenzyl 2-amino-3-hydroxypentanoate
SMILESCCC(O)C(N)C(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-10(14)11(13)12(15)16-8-9-6-4-3-5-7-9/h3-7,10-11,14H,2,8,13H2,1H3
InChIKeyGSVSHQPDHQACJY-UHFFFAOYSA-N
XLogP0.83
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-amino-3-ethylpentanoate
CID 139415997
dibenzyl 2-amino-3-hydroxypentanedioate
CID 150974929
benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
benzyl (3S,4S)-3-hydroxy-4-methylhexanoate
CID 125473269
acetic acid;(3R)-3-amino-2-methyl-4-oxo-4-phenylmethoxybutanoic acid
CID 67782455
benzyl 2-amino-3,5-dimethylhexanoate
CID 174483486

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-3-hydroxypentanoate?
The IUPAC name of benzyl 2-amino-3-hydroxypentanoate (CID 68991672) is benzyl 2-amino-3-hydroxypentanoate.
What is the SMILES notation for benzyl 2-amino-3-hydroxypentanoate?
The canonical SMILES for benzyl 2-amino-3-hydroxypentanoate is CCC(O)C(N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-3-hydroxypentanoate?
The InChIKey is GSVSHQPDHQACJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-10(14)11(13)12(15)16-8-9-6-4-3-5-7-9/h3-7,10-11,14H,2,8,13H2,1H3.
What are the key properties of benzyl 2-amino-3-hydroxypentanoate?
benzyl 2-amino-3-hydroxypentanoate has a molecular weight of 223.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-3-hydroxypentanoate is sourced from PubChem (CID 68991672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).