cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid

C18H21NO4 — CID 167820137

IUPACcis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(C2=CCOCC2)c1
InChIInChI=1S/C18H21NO4/c20-17(19-16-5-4-15(11-16)18(21)22)14-3-1-2-13(10-14)12-6-8-23-9-7-12/h1-3,6,10,15-16H,4-5,7-9,11H2,(H,19,20)(H,21,22)/t15-,16+/m0/s1
InChIKeyCTLKVSZAGCSNNA-JKSUJKDBSA-N
MW315.37 g/mol
LogP2.47
Rot. Bonds4

About cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 167820137) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID167820137
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namecis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(C2=CCOCC2)c1
InChIInChI=1S/C18H21NO4/c20-17(19-16-5-4-15(11-16)18(21)22)14-3-1-2-13(10-14)12-6-8-23-9-7-12/h1-3,6,10,15-16H,4-5,7-9,11H2,(H,19,20)(H,21,22)/t15-,16+/m0/s1
InChIKeyCTLKVSZAGCSNNA-JKSUJKDBSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]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

cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 154868807
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069
cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675656
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 167820137) is cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(C2=CCOCC2)c1.
What is the InChIKey of cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is CTLKVSZAGCSNNA-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H21NO4/c20-17(19-16-5-4-15(11-16)18(21)22)14-3-1-2-13(10-14)12-6-8-23-9-7-12/h1-3,6,10,15-16H,4-5,7-9,11H2,(H,19,20)(H,21,22)/t15-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[3-(3,6-dihydro-2H-pyran-4-yl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 167820137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).