2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid

C17H17NO5 — CID 139948436

IUPAC2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1c(O)cccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c1-11(16(20)21)15-13(8-5-9-14(15)19)18-17(22)23-10-12-6-3-2-4-7-12/h2-9,11,19H,10H2,1H3,(H,18,22)(H,20,21)
InChIKeySKTUZYRLHJNULP-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.33
Rot. Bonds5

About 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid

2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid (PubChem CID 139948436) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
PubChem CID139948436
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1c(O)cccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c1-11(16(20)21)15-13(8-5-9-14(15)19)18-17(22)23-10-12-6-3-2-4-7-12/h2-9,11,19H,10H2,1H3,(H,18,22)(H,20,21)
InChIKeySKTUZYRLHJNULP-UHFFFAOYSA-N
XLogP3.33
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
methyl 2-[(3S)-4-oxopent-1-en-3-yl]-3-(phenylmethoxycarbonylamino)benzoate
CID 69176470
3-[2-hydroxy-3-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 54120837
(2S)-2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 154196971
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid?
The IUPAC name of 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid (CID 139948436) is 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid?
The canonical SMILES for 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid is CC(C(=O)O)c1c(O)cccc1NC(=O)OCc1ccccc1.
What is the InChIKey of 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid?
The InChIKey is SKTUZYRLHJNULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-11(16(20)21)15-13(8-5-9-14(15)19)18-17(22)23-10-12-6-3-2-4-7-12/h2-9,11,19H,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid?
2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid has a molecular weight of 315.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 139948436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).