(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid

C8H18N2O3 — CID 86619449

IUPAC(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC(O)CN)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-8(2,3)10(7(12)13)5-6(11)4-9/h6,11H,4-5,9H2,1-3H3,(H,12,13)
InChIKeyGOAOMZKUGQEVEE-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.08
Rot. Bonds3

About (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid

(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid (PubChem CID 86619449) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid.

Molecular Properties

Compound Name(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid
PubChem CID86619449
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC(O)CN)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-8(2,3)10(7(12)13)5-6(11)4-9/h6,11H,4-5,9H2,1-3H3,(H,12,13)
InChIKeyGOAOMZKUGQEVEE-UHFFFAOYSA-N
XLogP0.08
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-hydroxypropyl)-tert-butylcarbamic 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 (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid?
The IUPAC name of (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid (CID 86619449) is (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid.
What is the SMILES notation for (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid?
The canonical SMILES for (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid is CC(C)(C)N(CC(O)CN)C(=O)O.
What is the InChIKey of (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid?
The InChIKey is GOAOMZKUGQEVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,3)10(7(12)13)5-6(11)4-9/h6,11H,4-5,9H2,1-3H3,(H,12,13).
What are the key properties of (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid?
(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid has a molecular weight of 190.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxypropyl)-tert-butylcarbamic acid is sourced from PubChem (CID 86619449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).