cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

C14H18N2O4 — CID 106322147

IUPACcis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)c1ccc(N[C@H]2CC[C@@H](C(=O)O)C2)nc1
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)10-4-6-12(15-8-10)16-11-5-3-9(7-11)13(17)18/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,15,16)(H,17,18)/t9-,11+/m1/s1
InChIKeyDLWOZNSUSFOHDR-KOLCDFICSA-N
MW278.31 g/mol
LogP1.92
Rot. Bonds5

About cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106322147) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106322147
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namecis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)c1ccc(N[C@H]2CC[C@@H](C(=O)O)C2)nc1
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)10-4-6-12(15-8-10)16-11-5-3-9(7-11)13(17)18/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,15,16)(H,17,18)/t9-,11+/m1/s1
InChIKeyDLWOZNSUSFOHDR-KOLCDFICSA-N
XLogP1.92
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate
CID 64742881
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
CID 80712830
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571
ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
CID 82728827
3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 63042064
ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
CID 63663382
ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 107143719
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate
CID 103742732
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 106322147) is cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is CCOC(=O)c1ccc(N[C@H]2CC[C@@H](C(=O)O)C2)nc1.
What is the InChIKey of cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DLWOZNSUSFOHDR-KOLCDFICSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-14(19)10-4-6-12(15-8-10)16-11-5-3-9(7-11)13(17)18/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,15,16)(H,17,18)/t9-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).