3-(4-aminophenoxy)propylcarbamic acid

C10H14N2O3 — CID 22640978

IUPAC3-(4-aminophenoxy)propylcarbamic acid
SMILESNc1ccc(OCCCNC(=O)O)cc1
InChIInChI=1S/C10H14N2O3/c11-8-2-4-9(5-3-8)15-7-1-6-12-10(13)14/h2-5,12H,1,6-7,11H2,(H,13,14)
InChIKeyPUZDQVMQXFSBCM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.31
Rot. Bonds5

About 3-(4-aminophenoxy)propylcarbamic acid

3-(4-aminophenoxy)propylcarbamic acid (PubChem CID 22640978) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(4-aminophenoxy)propylcarbamic acid.

Molecular Properties

Compound Name3-(4-aminophenoxy)propylcarbamic acid
PubChem CID22640978
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(4-aminophenoxy)propylcarbamic acid
SMILESNc1ccc(OCCCNC(=O)O)cc1
InChIInChI=1S/C10H14N2O3/c11-8-2-4-9(5-3-8)15-7-1-6-12-10(13)14/h2-5,12H,1,6-7,11H2,(H,13,14)
InChIKeyPUZDQVMQXFSBCM-UHFFFAOYSA-N
XLogP1.31
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
4-(4-aminophenoxy)butanoic acid
CID 14451763
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
ethyl 2-[5-(4-aminophenoxy)pentylamino]-2-oxoacetate;methanesulfonic acid
CID 20833927
6-(4-aminophenoxy)hexanoic acid
CID 3028577
N,N'-bis[5-(4-aminophenoxy)pentyl]pentanediamide;methanesulfonic acid
CID 21150343
N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
CID 54915197
2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid
CID 56998010
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)propylcarbamic acid?
The IUPAC name of 3-(4-aminophenoxy)propylcarbamic acid (CID 22640978) is 3-(4-aminophenoxy)propylcarbamic acid.
What is the SMILES notation for 3-(4-aminophenoxy)propylcarbamic acid?
The canonical SMILES for 3-(4-aminophenoxy)propylcarbamic acid is Nc1ccc(OCCCNC(=O)O)cc1.
What is the InChIKey of 3-(4-aminophenoxy)propylcarbamic acid?
The InChIKey is PUZDQVMQXFSBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-8-2-4-9(5-3-8)15-7-1-6-12-10(13)14/h2-5,12H,1,6-7,11H2,(H,13,14).
What are the key properties of 3-(4-aminophenoxy)propylcarbamic acid?
3-(4-aminophenoxy)propylcarbamic acid has a molecular weight of 210.23 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)propylcarbamic acid is sourced from PubChem (CID 22640978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).