[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid

C10H13NO4 — CID 90097336

IUPAC[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
SMILESC[C@@H](COc1ccc(O)cc1)NC(=O)O
InChIInChI=1S/C10H13NO4/c1-7(11-10(13)14)6-15-9-4-2-8(12)3-5-9/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyAZPNCDXZICZHDL-ZETCQYMHSA-N
MW211.22 g/mol
LogP1.43
Rot. Bonds4

About [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid

[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid (PubChem CID 90097336) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
PubChem CID90097336
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
SMILESC[C@@H](COc1ccc(O)cc1)NC(=O)O
InChIInChI=1S/C10H13NO4/c1-7(11-10(13)14)6-15-9-4-2-8(12)3-5-9/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyAZPNCDXZICZHDL-ZETCQYMHSA-N
XLogP1.43
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid
CID 67071566
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
[(2S)-1-(4-bromo-3,5-difluorophenoxy)propan-2-yl]carbamic acid
CID 67778385
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
2-[(4-hydroxyphenoxy)methyl]-3,3-dimethylbutanoic acid
CID 117242558
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid (CID 90097336) is [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid is C[C@@H](COc1ccc(O)cc1)NC(=O)O.
What is the InChIKey of [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid?
The InChIKey is AZPNCDXZICZHDL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(11-10(13)14)6-15-9-4-2-8(12)3-5-9/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid?
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid has a molecular weight of 211.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid is sourced from PubChem (CID 90097336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).