2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 64817335

IUPAC2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOC1CCCC1NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-20-12-8-4-7-11(12)16-14(19)15-10-6-3-2-5-9(10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyFEOKFADXBGQICQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds4

About 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid

2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64817335) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID64817335
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOC1CCCC1NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-20-12-8-4-7-11(12)16-14(19)15-10-6-3-2-5-9(10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyFEOKFADXBGQICQ-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238773
(1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962368
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816939
2-amino-N-(2-methoxycyclopentyl)-3-methylcyclohexane-1-carboxamide
CID 62782215
4-[(2-methoxycyclopentyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 76934433
3-amino-N-(2-methoxycyclopentyl)-2-methylcyclohexane-1-carboxamide
CID 62782214
2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374
S-methyl N-[(1R,2S)-2-methoxycyclohexyl]carbamothioate
CID 41097231
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 64817335) is 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is COC1CCCC1NC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FEOKFADXBGQICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-12-8-4-7-11(12)16-14(19)15-10-6-3-2-5-9(10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).