4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

C14H24N2O4 — CID 106498637

IUPAC4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCN(CC(=O)NC1CC1)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-16(8-12(17)15-11-2-3-11)9-14(20)6-4-10(5-7-14)13(18)19/h10-11,20H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyBAYVFJXUMXJZPD-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.20
Rot. Bonds6

About 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498637) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498637
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCN(CC(=O)NC1CC1)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-16(8-12(17)15-11-2-3-11)9-14(20)6-4-10(5-7-14)13(18)19/h10-11,20H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyBAYVFJXUMXJZPD-UHFFFAOYSA-N
XLogP0.20
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 115758301
N-cyclopropyl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761074
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124
4-hydroxy-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106498610
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498802
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442686
4-hydroxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498735
4-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498851
4-[[bis(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498497
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498625
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-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498637) is 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is CN(CC(=O)NC1CC1)CC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is BAYVFJXUMXJZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-16(8-12(17)15-11-2-3-11)9-14(20)6-4-10(5-7-14)13(18)19/h10-11,20H,2-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).