2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid

C18H24N2O6 — CID 22899644

IUPAC2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1C(OCNc2ccc(C)cc2)CC(C(=O)O)C1CC(=O)O
InChIInChI=1S/C18H24N2O6/c1-10-3-5-11(6-4-10)20-9-26-14-7-13(18(24)25)12(8-15(21)22)16(14)17(23)19-2/h3-6,12-14,16,20H,7-9H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)
InChIKeyWMJTUXORRJQRDC-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.31
Rot. Bonds8

About 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid

2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 22899644) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID22899644
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1C(OCNc2ccc(C)cc2)CC(C(=O)O)C1CC(=O)O
InChIInChI=1S/C18H24N2O6/c1-10-3-5-11(6-4-10)20-9-26-14-7-13(18(24)25)12(8-15(21)22)16(14)17(23)19-2/h3-6,12-14,16,20H,7-9H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)
InChIKeyWMJTUXORRJQRDC-UHFFFAOYSA-N
XLogP1.31
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(carboxymethyl)-2-(methylcarbamoyl)-4-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 140957886
(1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
CID 99934066
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
(1R,2R,3S,4R)-3-[[4-[(4-methylphenyl)diazenyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 126387302
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
(1R,2S,3S,4S)-3-[(4-methylphenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6593008
3-(4-methylanilino)cyclobutane-1-carboxylic acid
CID 117027720
(1S,2R,4R,5S,6R,7R)-7-[[4-(4-methylphenoxy)phenyl]carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124763086
5-ethenyl-3-methyl-2-[2-(4-methylphenyl)propan-2-yloxycarbonyl]cyclopentane-1-carboxylic acid
CID 170049549
magnesium;hydride;2-(4-methylanilino)acetic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 173015504
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid (CID 22899644) is 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid is CNC(=O)C1C(OCNc2ccc(C)cc2)CC(C(=O)O)C1CC(=O)O.
What is the InChIKey of 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is WMJTUXORRJQRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-10-3-5-11(6-4-10)20-9-26-14-7-13(18(24)25)12(8-15(21)22)16(14)17(23)19-2/h3-6,12-14,16,20H,7-9H2,1-2H3,(H,19,23)(H,21,22)(H,24,25).
What are the key properties of 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 1.31, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-4-[(4-methylanilino)methoxy]-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22899644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).