1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid

C14H24N2O3 — CID 64823648

IUPAC1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)C2CCCC2N)(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-4-3-7-14(8-9,13(18)19)16-12(17)10-5-2-6-11(10)15/h9-11H,2-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyANEMEUYDLQGGRT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.26
Rot. Bonds3

About 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 64823648) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID64823648
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)C2CCCC2N)(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-4-3-7-14(8-9,13(18)19)16-12(17)10-5-2-6-11(10)15/h9-11H,2-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyANEMEUYDLQGGRT-UHFFFAOYSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
3-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 62214759
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 65120385
1-[(2-amino-3-methylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61293194
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 79853770
3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63279636
1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 76897664
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574
1-[(2-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 107175622
3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 62410921

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 64823648) is 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)C2CCCC2N)(C(=O)O)C1.
What is the InChIKey of 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is ANEMEUYDLQGGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-4-3-7-14(8-9,13(18)19)16-12(17)10-5-2-6-11(10)15/h9-11H,2-8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64823648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).