4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid

C18H29NO6 — CID 19775823

IUPAC4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)O
InChIInChI=1S/C18H29NO6/c1-25-11-13(16(22)23)10-18(8-2-3-9-18)17(24)19-14-6-4-12(5-7-14)15(20)21/h12-14H,2-11H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyGTZBDDCTVJZWLD-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.04
Rot. Bonds8

About 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 19775823) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID19775823
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC Name4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)O
InChIInChI=1S/C18H29NO6/c1-25-11-13(16(22)23)10-18(8-2-3-9-18)17(24)19-14-6-4-12(5-7-14)15(20)21/h12-14H,2-11H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyGTZBDDCTVJZWLD-UHFFFAOYSA-N
XLogP2.04
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

Candoxatrilat
CID 443380
cis-2-((1-((4-(Dimethylcarbamoyl)cyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11682380
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
4-((2-Carboxy-3-(2-methoxyethoxy)propyl)-1-cyclopentanecarbonylamino)-1-cyclohexanecarboxylic acid
CID 123697
4-[[1-[(3S)-3-carboxy-4-(methoxymethoxy)butyl]cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 166585
(2S)-2-[[1-[[(1R,3R,4S)-3-butyl-4-oxalocyclohexyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid
CID 16718971
4-[[1-[2-Carboxy-2-(oxolan-3-yl)ethyl]cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 18645994
(2S)-2-[[1-[(4-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid
CID 18646003
2-[[1-[(3-Ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-6-hydroxyhexanoic acid
CID 19775776
4-[[1-(2-Carboxypentyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 19775778
2-[[1-[(4-Ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid
CID 19775782

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid (CID 19775823) is 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid is COCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)O.
What is the InChIKey of 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GTZBDDCTVJZWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO6/c1-25-11-13(16(22)23)10-18(8-2-3-9-18)17(24)19-14-6-4-12(5-7-14)15(20)21/h12-14H,2-11H2,1H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 355.43 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-carboxy-3-methoxypropyl)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19775823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).