[2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid

C9H12N2O4 — CID 141144866

IUPAC[2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid
SMILESNc1ccc(OCCO)cc1NC(=O)O
InChIInChI=1S/C9H12N2O4/c10-7-2-1-6(15-4-3-12)5-8(7)11-9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14)
InChIKeyKSMKMGXZHPEAAN-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.73
Rot. Bonds4

About [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid

[2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid (PubChem CID 141144866) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid
PubChem CID141144866
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name[2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid
SMILESNc1ccc(OCCO)cc1NC(=O)O
InChIInChI=1S/C9H12N2O4/c10-7-2-1-6(15-4-3-12)5-8(7)11-9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14)
InChIKeyKSMKMGXZHPEAAN-UHFFFAOYSA-N
XLogP0.73
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
2-amino-5-(2-hydroxyethoxy)-N-methylbenzamide
CID 70096875
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
4-(4-amino-3-methylphenoxy)-N-methylbutanamide
CID 63892855
2-amino-5-(3-hydroxypropoxy)benzamide
CID 61307251
4-amino-3-(2-hydroxyethoxy)benzoic acid
CID 43379927
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
CID 162335780
CID 162335780

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid?
The IUPAC name of [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid (CID 141144866) is [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid?
The canonical SMILES for [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid is Nc1ccc(OCCO)cc1NC(=O)O.
What is the InChIKey of [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid?
The InChIKey is KSMKMGXZHPEAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c10-7-2-1-6(15-4-3-12)5-8(7)11-9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14).
What are the key properties of [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid?
[2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid has a molecular weight of 212.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid is sourced from PubChem (CID 141144866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).