[hydroxy(phenyl)carbamoyl]-propylcarbamic acid

C11H14N2O4 — CID 87091898

IUPAC[hydroxy(phenyl)carbamoyl]-propylcarbamic acid
SMILESCCCN(C(=O)O)C(=O)N(O)c1ccccc1
InChIInChI=1S/C11H14N2O4/c1-2-8-12(11(15)16)10(14)13(17)9-6-4-3-5-7-9/h3-7,17H,2,8H2,1H3,(H,15,16)
InChIKeyPNYNYWGHALMTOQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.39
Rot. Bonds3

About [hydroxy(phenyl)carbamoyl]-propylcarbamic acid

[hydroxy(phenyl)carbamoyl]-propylcarbamic acid (PubChem CID 87091898) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [hydroxy(phenyl)carbamoyl]-propylcarbamic acid.

Molecular Properties

Compound Name[hydroxy(phenyl)carbamoyl]-propylcarbamic acid
PubChem CID87091898
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[hydroxy(phenyl)carbamoyl]-propylcarbamic acid
SMILESCCCN(C(=O)O)C(=O)N(O)c1ccccc1
InChIInChI=1S/C11H14N2O4/c1-2-8-12(11(15)16)10(14)13(17)9-6-4-3-5-7-9/h3-7,17H,2,8H2,1H3,(H,15,16)
InChIKeyPNYNYWGHALMTOQ-UHFFFAOYSA-N
XLogP2.39
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenyl)carbamoyl]-propylcarbamic acid?
The IUPAC name of [hydroxy(phenyl)carbamoyl]-propylcarbamic acid (CID 87091898) is [hydroxy(phenyl)carbamoyl]-propylcarbamic acid.
What is the SMILES notation for [hydroxy(phenyl)carbamoyl]-propylcarbamic acid?
The canonical SMILES for [hydroxy(phenyl)carbamoyl]-propylcarbamic acid is CCCN(C(=O)O)C(=O)N(O)c1ccccc1.
What is the InChIKey of [hydroxy(phenyl)carbamoyl]-propylcarbamic acid?
The InChIKey is PNYNYWGHALMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-8-12(11(15)16)10(14)13(17)9-6-4-3-5-7-9/h3-7,17H,2,8H2,1H3,(H,15,16).
What are the key properties of [hydroxy(phenyl)carbamoyl]-propylcarbamic acid?
[hydroxy(phenyl)carbamoyl]-propylcarbamic acid has a molecular weight of 238.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenyl)carbamoyl]-propylcarbamic acid is sourced from PubChem (CID 87091898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).