1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C15H26N2O4 — CID 115442661

IUPAC1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2CCC(CN)O2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-10-4-6-15(7-5-10,14(19)20)9-17-13(18)12-3-2-11(8-16)21-12/h10-12H,2-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyRIRAPEPLMHVMRR-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.89
Rot. Bonds5

About 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115442661) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115442661
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2CCC(CN)O2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-10-4-6-15(7-5-10,14(19)20)9-17-13(18)12-3-2-11(8-16)21-12/h10-12H,2-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyRIRAPEPLMHVMRR-UHFFFAOYSA-N
XLogP0.89
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450789
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
1-[[[2-(aminomethyl)cyclopentanecarbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442593
1-[(1,4-dioxane-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441028
(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798867
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
(2S,5R)-5-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120795481
4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440844
(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 120796422

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115442661) is 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)C2CCC(CN)O2)(C(=O)O)CC1.
What is the InChIKey of 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is RIRAPEPLMHVMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-4-6-15(7-5-10,14(19)20)9-17-13(18)12-3-2-11(8-16)21-12/h10-12H,2-9,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).