1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 55062097

IUPAC1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESNC1CCC(NC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C14H24N2O3/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(18)19)7-1-2-8-14/h10-11H,1-9,15H2,(H,16,17)(H,18,19)
InChIKeyRZKBSQTXOMJZMQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 55062097) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID55062097
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESNC1CCC(NC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C14H24N2O3/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(18)19)7-1-2-8-14/h10-11H,1-9,15H2,(H,16,17)(H,18,19)
InChIKeyRZKBSQTXOMJZMQ-UHFFFAOYSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
2-(1-aminocyclohexyl)-N-(4-aminocyclohexyl)acetamide
CID 64676633
N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678121
1-[2-[(3-methoxycyclopentyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114117925
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114543563
1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 60940397
1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63363742
1-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 63661531
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 114155350
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529605

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 55062097) is 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is NC1CCC(NC(=O)CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is RZKBSQTXOMJZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(18)19)7-1-2-8-14/h10-11H,1-9,15H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55062097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).