4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

C15H27NO3 — CID 106498625

IUPAC4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC(C)N(CC1CC1)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-11(2)16(9-12-3-4-12)10-15(19)7-5-13(6-8-15)14(17)18/h11-13,19H,3-10H2,1-2H3,(H,17,18)
InChIKeyDYRCHKPBSSYHAN-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.11
Rot. Bonds6

About 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498625) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498625
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC(C)N(CC1CC1)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-11(2)16(9-12-3-4-12)10-15(19)7-5-13(6-8-15)14(17)18/h11-13,19H,3-10H2,1-2H3,(H,17,18)
InChIKeyDYRCHKPBSSYHAN-UHFFFAOYSA-N
XLogP2.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid 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

4-[[bis(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498497
4-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498851
4-[[cyclopentyl(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498797
4-(ethylsulfonylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498315
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498802
4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498421
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498637
4-hydroxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498735
4-hydroxy-4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499376
4-hydroxy-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498837
4-[[bis(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 21470529
4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498506

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498625) is 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is CC(C)N(CC1CC1)CC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is DYRCHKPBSSYHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)16(9-12-3-4-12)10-15(19)7-5-13(6-8-15)14(17)18/h11-13,19H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).