3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid

C19H31NO5 — CID 19775783

IUPAC3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCC(CC1(C(=O)NC2CCCC(C(=O)O)C2)CCCC1)C(=O)O
InChIInChI=1S/C19H31NO5/c1-2-6-14(17(23)24)12-19(9-3-4-10-19)18(25)20-15-8-5-7-13(11-15)16(21)22/h13-15H,2-12H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyNWOSWWFBSMYTEO-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.20
Rot. Bonds8

About 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid

3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 19775783) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID19775783
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Name3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCC(CC1(C(=O)NC2CCCC(C(=O)O)C2)CCCC1)C(=O)O
InChIInChI=1S/C19H31NO5/c1-2-6-14(17(23)24)12-19(9-3-4-10-19)18(25)20-15-8-5-7-13(11-15)16(21)22/h13-15H,2-12H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyNWOSWWFBSMYTEO-UHFFFAOYSA-N
XLogP3.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]-5-methylhexanoic acid
CID 2959256
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
trans-(1S,3R)-3-(cyclohexylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 750960
1-[[(2-Methyl-1-oxopropyl)amino]methyl]cyclohexaneacetic Acid
CID 61660406

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid (CID 19775783) is 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid is CCCC(CC1(C(=O)NC2CCCC(C(=O)O)C2)CCCC1)C(=O)O.
What is the InChIKey of 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NWOSWWFBSMYTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO5/c1-2-6-14(17(23)24)12-19(9-3-4-10-19)18(25)20-15-8-5-7-13(11-15)16(21)22/h13-15H,2-12H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 353.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19775783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).