4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 122024567

IUPAC4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)N[C@H]1CCC[C@H]1CO
InChIInChI=1S/C14H24N2O4/c17-8-10-2-1-3-12(10)16-14(20)15-11-6-4-9(5-7-11)13(18)19/h9-12,17H,1-8H2,(H,18,19)(H2,15,16,20)/t9?,10-,11?,12-/m0/s1
InChIKeyHUDMIDBQTHBHLA-ADPBJBESSA-N
MW284.36 g/mol
LogP1.09
Rot. Bonds4

About 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122024567) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122024567
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)N[C@H]1CCC[C@H]1CO
InChIInChI=1S/C14H24N2O4/c17-8-10-2-1-3-12(10)16-14(20)15-11-6-4-9(5-7-11)13(18)19/h9-12,17H,1-8H2,(H,18,19)(H2,15,16,20)/t9?,10-,11?,12-/m0/s1
InChIKeyHUDMIDBQTHBHLA-ADPBJBESSA-N
XLogP1.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114178456
4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001828
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
4-[(2-propylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114111471
2-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 106359251
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
CID 111631043
4-(thiolan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103064077
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 95930533
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122024567) is 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)N[C@H]1CCC[C@H]1CO.
What is the InChIKey of 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HUDMIDBQTHBHLA-ADPBJBESSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-8-10-2-1-3-12(10)16-14(20)15-11-6-4-9(5-7-11)13(18)19/h9-12,17H,1-8H2,(H,18,19)(H2,15,16,20)/t9?,10-,11?,12-/m0/s1.
What are the key properties of 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).