propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate

C11H21NO3 — CID 111487445

IUPACpropan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate
SMILESCC(C)OC(=O)CCN(CCO)C1CC1
InChIInChI=1S/C11H21NO3/c1-9(2)15-11(14)5-6-12(7-8-13)10-3-4-10/h9-10,13H,3-8H2,1-2H3
InChIKeyWIUCXKBDOPPZJP-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds7

About propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate

propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate (PubChem CID 111487445) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate
PubChem CID111487445
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namepropan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate
SMILESCC(C)OC(=O)CCN(CCO)C1CC1
InChIInChI=1S/C11H21NO3/c1-9(2)15-11(14)5-6-12(7-8-13)10-3-4-10/h9-10,13H,3-8H2,1-2H3
InChIKeyWIUCXKBDOPPZJP-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
CID 60694307
hydrazinyl 3-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 66337127
ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
CID 12636193
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
4-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbutanamide
CID 63892543
N-carbamoyl-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102676860
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide
CID 173205238
propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62976857
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395277
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55210363

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate (CID 111487445) is propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate is CC(C)OC(=O)CCN(CCO)C1CC1.
What is the InChIKey of propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate?
The InChIKey is WIUCXKBDOPPZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)15-11(14)5-6-12(7-8-13)10-3-4-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate?
propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[cyclopropyl(2-hydroxyethyl)amino]propanoate is sourced from PubChem (CID 111487445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).