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

C10H13NO3 — CID 124508416

IUPAC[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
SMILESC[C@@H](Cc1ccc(O)cc1)NC(=O)O
InChIInChI=1S/C10H13NO3/c1-7(11-10(13)14)6-8-2-4-9(12)5-3-8/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyAFLQPBANDWKDPM-ZETCQYMHSA-N
MW195.22 g/mol
LogP1.59
Rot. Bonds3

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

[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid (PubChem CID 124508416) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
PubChem CID124508416
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
SMILESC[C@@H](Cc1ccc(O)cc1)NC(=O)O
InChIInChI=1S/C10H13NO3/c1-7(11-10(13)14)6-8-2-4-9(12)5-3-8/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyAFLQPBANDWKDPM-ZETCQYMHSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
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CID 110903976
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 143748239
3-(4-hydroxyphenyl)-2-(4-methylpentan-2-ylamino)propanoic acid
CID 114284796
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197717
4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 97236104
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 155091237

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid (CID 124508416) is [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid is C[C@@H](Cc1ccc(O)cc1)NC(=O)O.
What is the InChIKey of [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid?
The InChIKey is AFLQPBANDWKDPM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(11-10(13)14)6-8-2-4-9(12)5-3-8/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid?
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid has a molecular weight of 195.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid is sourced from PubChem (CID 124508416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).