hydroxy(2-phenylethyl)carbamic acid

C9H11NO3 — CID 87254387

IUPAChydroxy(2-phenylethyl)carbamic acid
SMILESO=C(O)N(O)CCc1ccccc1
InChIInChI=1S/C9H11NO3/c11-9(12)10(13)7-6-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,11,12)
InChIKeyUCDVMRQVYDNVEU-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.60
Rot. Bonds3

About hydroxy(2-phenylethyl)carbamic acid

hydroxy(2-phenylethyl)carbamic acid (PubChem CID 87254387) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is hydroxy(2-phenylethyl)carbamic acid.

Molecular Properties

Compound Namehydroxy(2-phenylethyl)carbamic acid
PubChem CID87254387
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namehydroxy(2-phenylethyl)carbamic acid
SMILESO=C(O)N(O)CCc1ccccc1
InChIInChI=1S/C9H11NO3/c11-9(12)10(13)7-6-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,11,12)
InChIKeyUCDVMRQVYDNVEU-UHFFFAOYSA-N
XLogP1.60
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-1-(2-phenylethyl)urea
CID 10241398
N-hydroxy-N-(2-phenylethyl)formamide
CID 87396822
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
(benzylamino)-(2-phenylethyl)carbamic acid
CID 151569328
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
CID 143540214
N-isocyano-N-(2-phenylethyl)hydroxylamine
CID 172700292
N-chloro-N-(2-phenylethoxy)benzamide
CID 13352725
(2-fluorophenyl)-(2-phenylethyl)carbamic acid
CID 154111603
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591

Frequently Asked Questions

What is the IUPAC name of hydroxy(2-phenylethyl)carbamic acid?
The IUPAC name of hydroxy(2-phenylethyl)carbamic acid (CID 87254387) is hydroxy(2-phenylethyl)carbamic acid.
What is the SMILES notation for hydroxy(2-phenylethyl)carbamic acid?
The canonical SMILES for hydroxy(2-phenylethyl)carbamic acid is O=C(O)N(O)CCc1ccccc1.
What is the InChIKey of hydroxy(2-phenylethyl)carbamic acid?
The InChIKey is UCDVMRQVYDNVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)10(13)7-6-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,11,12).
What are the key properties of hydroxy(2-phenylethyl)carbamic acid?
hydroxy(2-phenylethyl)carbamic acid has a molecular weight of 181.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(2-phenylethyl)carbamic acid is sourced from PubChem (CID 87254387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).