10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid

C19H36N2O4 — CID 118370007

IUPAC10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid
SMILESNCC1CCCC(CNC(=O)OCCCCCCCCCC(=O)O)C1
InChIInChI=1S/C19H36N2O4/c20-14-16-9-8-10-17(13-16)15-21-19(24)25-12-7-5-3-1-2-4-6-11-18(22)23/h16-17H,1-15,20H2,(H,21,24)(H,22,23)
InChIKeyUXYGDVNSNCLCQE-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.68
Rot. Bonds13

About 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid

10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid (PubChem CID 118370007) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid.

Molecular Properties

Compound Name10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid
PubChem CID118370007
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid
SMILESNCC1CCCC(CNC(=O)OCCCCCCCCCC(=O)O)C1
InChIInChI=1S/C19H36N2O4/c20-14-16-9-8-10-17(13-16)15-21-19(24)25-12-7-5-3-1-2-4-6-11-18(22)23/h16-17H,1-15,20H2,(H,21,24)(H,22,23)
InChIKeyUXYGDVNSNCLCQE-UHFFFAOYSA-N
XLogP3.68
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]methylcarbamoyloxy]propyl 2-methylprop-2-enoate
CID 67679308
4-[[3-[(2-acetyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 134238587
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
6-(prop-2-ynylcarbamoyloxy)hexanoic acid
CID 144591332
6-[(1,1-dioxothiolan-3-yl)methylcarbamoyloxy]hexyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 43828162
2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 118910888
8-cyclobutyloctanoic acid
CID 72551210
16-[4-(aminomethyl)cyclohexyl]hexadecanoic acid
CID 67111658
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
4-amino-N-(cyclobutylmethyl)butanamide
CID 43298749

Frequently Asked Questions

What is the IUPAC name of 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid?
The IUPAC name of 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid (CID 118370007) is 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid.
What is the SMILES notation for 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid?
The canonical SMILES for 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid is NCC1CCCC(CNC(=O)OCCCCCCCCCC(=O)O)C1.
What is the InChIKey of 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid?
The InChIKey is UXYGDVNSNCLCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4/c20-14-16-9-8-10-17(13-16)15-21-19(24)25-12-7-5-3-1-2-4-6-11-18(22)23/h16-17H,1-15,20H2,(H,21,24)(H,22,23).
What are the key properties of 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid?
10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid has a molecular weight of 356.51 g/mol, XLogP of 3.68, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[3-(aminomethyl)cyclohexyl]methylcarbamoyloxy]decanoic acid is sourced from PubChem (CID 118370007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).