4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid

C20H34N2O5 — CID 19775801

IUPAC4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESNCCCCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)O
InChIInChI=1S/C20H34N2O5/c21-12-4-1-5-15(18(25)26)13-20(10-2-3-11-20)19(27)22-16-8-6-14(7-9-16)17(23)24/h14-16H,1-13,21H2,(H,22,27)(H,23,24)(H,25,26)
InChIKeyFLLJSHQLWAGEIC-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.53
Rot. Bonds10

About 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 19775801) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID19775801
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESNCCCCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)O
InChIInChI=1S/C20H34N2O5/c21-12-4-1-5-15(18(25)26)13-20(10-2-3-11-20)19(27)22-16-8-6-14(7-9-16)17(23)24/h14-16H,1-13,21H2,(H,22,27)(H,23,24)(H,25,26)
InChIKeyFLLJSHQLWAGEIC-UHFFFAOYSA-N
XLogP2.53
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Candoxatrilat
CID 443380
cis-2-((1-((4-(Dimethylcarbamoyl)cyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11682380
2-((1-((3-(Dimethylcarbamoyl)cyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11689439
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]heptanoic acid
CID 657819
cis-2-((1-((4-Carbamoylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11515875
2-((1-(((1R,2S)-2-propylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11537626
2-((1-(((1R,3S)-3-carbamoylcyclopentyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11566264
[1-(Adamantan-2-ylcarbamoylmethyl)-cyclopentyl]-acetic acid
CID 24947239
3-Cyclohexylcarbamoyl-1,2,2-trimethyl-cyclopentanecarboxylic acid
CID 2837985
1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865
2-[1-[2-(Cyclohexylmethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 45267202
4-((2-Carboxy-3-(2-methoxyethoxy)propyl)-1-cyclopentanecarbonylamino)-1-cyclohexanecarboxylic acid
CID 123697

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid (CID 19775801) is 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid is NCCCCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)O.
What is the InChIKey of 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FLLJSHQLWAGEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c21-12-4-1-5-15(18(25)26)13-20(10-2-3-11-20)19(27)22-16-8-6-14(7-9-16)17(23)24/h14-16H,1-13,21H2,(H,22,27)(H,23,24)(H,25,26).
What are the key properties of 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 382.50 g/mol, XLogP of 2.53, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-amino-2-carboxyhexyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19775801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).