(2-amino-3-propan-2-yloxypropyl)carbamic acid

C7H16N2O3 — CID 90113909

IUPAC(2-amino-3-propan-2-yloxypropyl)carbamic acid
SMILESCC(C)OCC(N)CNC(=O)O
InChIInChI=1S/C7H16N2O3/c1-5(2)12-4-6(8)3-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyAVUCKRSCZZKDGX-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.01
Rot. Bonds5

About (2-amino-3-propan-2-yloxypropyl)carbamic acid

(2-amino-3-propan-2-yloxypropyl)carbamic acid (PubChem CID 90113909) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2-amino-3-propan-2-yloxypropyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-3-propan-2-yloxypropyl)carbamic acid
PubChem CID90113909
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name(2-amino-3-propan-2-yloxypropyl)carbamic acid
SMILESCC(C)OCC(N)CNC(=O)O
InChIInChI=1S/C7H16N2O3/c1-5(2)12-4-6(8)3-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyAVUCKRSCZZKDGX-UHFFFAOYSA-N
XLogP0.01
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2-amino-3-propan-2-yloxypropyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-propan-2-yloxypropyl)carbamic acid?
The IUPAC name of (2-amino-3-propan-2-yloxypropyl)carbamic acid (CID 90113909) is (2-amino-3-propan-2-yloxypropyl)carbamic acid.
What is the SMILES notation for (2-amino-3-propan-2-yloxypropyl)carbamic acid?
The canonical SMILES for (2-amino-3-propan-2-yloxypropyl)carbamic acid is CC(C)OCC(N)CNC(=O)O.
What is the InChIKey of (2-amino-3-propan-2-yloxypropyl)carbamic acid?
The InChIKey is AVUCKRSCZZKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(2)12-4-6(8)3-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11).
What are the key properties of (2-amino-3-propan-2-yloxypropyl)carbamic acid?
(2-amino-3-propan-2-yloxypropyl)carbamic acid has a molecular weight of 176.22 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-propan-2-yloxypropyl)carbamic acid is sourced from PubChem (CID 90113909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).