3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid

C16H17NO3 — CID 21219515

IUPAC3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(O)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-15(16(19)20)14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10,14-15,17-18H,11H2,(H,19,20)
InChIKeyIDKGOWNLIAJLAU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.96
Rot. Bonds6

About 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid

3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid (PubChem CID 21219515) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
PubChem CID21219515
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(O)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-15(16(19)20)14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10,14-15,17-18H,11H2,(H,19,20)
InChIKeyIDKGOWNLIAJLAU-UHFFFAOYSA-N
XLogP1.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid;hydrate
CID 172680795
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581
methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
CID 67427493
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
CID 175540511
4-[(benzylamino)-phenylmethyl]heptane-3,5-dione
CID 102397500
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 10685271
(2R,3S)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 15364761
N-benzylhydroxylamine;2,3-dihydroxybutanedioic acid
CID 162320499
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid (CID 21219515) is 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid is O=C(O)C(O)C(NCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is IDKGOWNLIAJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(16(19)20)14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10,14-15,17-18H,11H2,(H,19,20).
What are the key properties of 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid?
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 21219515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).