cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C19H25NO4 — CID 120677486

IUPACcis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)CCOCC2)cc1
InChIInChI=1S/C19H25NO4/c1-13-2-5-15(6-3-13)19(8-10-24-11-9-19)18(23)20-16-7-4-14(12-16)17(21)22/h2-3,5-6,14,16H,4,7-12H2,1H3,(H,20,23)(H,21,22)/t14-,16+/m1/s1
InChIKeyNQXOUSVGBZUHGL-ZBFHGGJFSA-N
MW331.41 g/mol
LogP2.41
Rot. Bonds4

About cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677486) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677486
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Namecis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)CCOCC2)cc1
InChIInChI=1S/C19H25NO4/c1-13-2-5-15(6-3-13)19(8-10-24-11-9-19)18(23)20-16-7-4-14(12-16)17(21)22/h2-3,5-6,14,16H,4,7-12H2,1H3,(H,20,23)(H,21,22)/t14-,16+/m1/s1
InChIKeyNQXOUSVGBZUHGL-ZBFHGGJFSA-N
XLogP2.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230001
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
cis-(1R,3S)-3-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678235
4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide
CID 60582793
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676919
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 75537654
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676617
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440
4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119352741

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120677486) is cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(C2(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)CCOCC2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is NQXOUSVGBZUHGL-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13-2-5-15(6-3-13)19(8-10-24-11-9-19)18(23)20-16-7-4-14(12-16)17(21)22/h2-3,5-6,14,16H,4,7-12H2,1H3,(H,20,23)(H,21,22)/t14-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).