azane;2-benzyl-3-hydroxypropanoic acid

C10H15NO3 — CID 70116076

IUPACazane;2-benzyl-3-hydroxypropanoic acid
SMILESN.O=C(O)C(CO)Cc1ccccc1
InChIInChI=1S/C10H12O3.H3N/c11-7-9(10(12)13)6-8-4-2-1-3-5-8;/h1-5,9,11H,6-7H2,(H,12,13);1H3
InChIKeyQBKAKNCVCOLXNW-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.08
Rot. Bonds4

About azane;2-benzyl-3-hydroxypropanoic acid

azane;2-benzyl-3-hydroxypropanoic acid (PubChem CID 70116076) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is azane;2-benzyl-3-hydroxypropanoic acid.

Molecular Properties

Compound Nameazane;2-benzyl-3-hydroxypropanoic acid
PubChem CID70116076
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameazane;2-benzyl-3-hydroxypropanoic acid
SMILESN.O=C(O)C(CO)Cc1ccccc1
InChIInChI=1S/C10H12O3.H3N/c11-7-9(10(12)13)6-8-4-2-1-3-5-8;/h1-5,9,11H,6-7H2,(H,12,13);1H3
InChIKeyQBKAKNCVCOLXNW-UHFFFAOYSA-N
XLogP1.08
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
CID 54270409
2-benzyl-3-iodopropanoic acid
CID 1542
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
2-benzylbutanedioic acid;ethanol
CID 174894815
(2R)-2-benzyl-N-fluoro-3-hydroxypropanamide
CID 153438488
4-amino-2-benzylbutanoic acid
CID 16679765
2-benzyl-4-methylpentanoic acid
CID 15416243
(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
CID 170899624
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
(2S)-2-benzyl-4-sulfanylidenepentanoic acid
CID 87997120
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158

Frequently Asked Questions

What is the IUPAC name of azane;2-benzyl-3-hydroxypropanoic acid?
The IUPAC name of azane;2-benzyl-3-hydroxypropanoic acid (CID 70116076) is azane;2-benzyl-3-hydroxypropanoic acid.
What is the SMILES notation for azane;2-benzyl-3-hydroxypropanoic acid?
The canonical SMILES for azane;2-benzyl-3-hydroxypropanoic acid is N.O=C(O)C(CO)Cc1ccccc1.
What is the InChIKey of azane;2-benzyl-3-hydroxypropanoic acid?
The InChIKey is QBKAKNCVCOLXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.H3N/c11-7-9(10(12)13)6-8-4-2-1-3-5-8;/h1-5,9,11H,6-7H2,(H,12,13);1H3.
What are the key properties of azane;2-benzyl-3-hydroxypropanoic acid?
azane;2-benzyl-3-hydroxypropanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-benzyl-3-hydroxypropanoic acid is sourced from PubChem (CID 70116076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).