3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

C17H17NO5 — CID 14770714

IUPAC3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC(Cc1cccc(O)c1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c19-14-8-4-7-13(9-14)10-15(16(20)21)18-17(22)23-11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)
InChIKeyZXWXVBROZXNXBC-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.31
Rot. Bonds6

About 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 14770714) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID14770714
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC(Cc1cccc(O)c1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c19-14-8-4-7-13(9-14)10-15(16(20)21)18-17(22)23-11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)
InChIKeyZXWXVBROZXNXBC-UHFFFAOYSA-N
XLogP2.31
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309203
3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3288957
(2S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18601092
(2R)-2-(butoxycarbonylamino)-3-(3-hydroxyphenyl)propanoic acid
CID 140538426
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397
3-(4-hydroxy-3-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 121282452
(2S)-3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309274
(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 18638341
benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 91699856
(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 167714561
(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
CID 91872585

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (CID 14770714) is 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid is O=C(NC(Cc1cccc(O)c1)C(=O)O)OCc1ccccc1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is ZXWXVBROZXNXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c19-14-8-4-7-13(9-14)10-15(16(20)21)18-17(22)23-11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21).
What are the key properties of 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid?
3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 315.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 14770714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).