cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid

C12H16N2O2 — CID 106321989

IUPACcis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cnccc1N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H16N2O2/c1-8-7-13-5-4-11(8)14-10-3-2-9(6-10)12(15)16/h4-5,7,9-10H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t9-,10+/m1/s1
InChIKeyZQPKKCJPDXXHHQ-ZJUUUORDSA-N
MW220.27 g/mol
LogP2.06
Rot. Bonds3

About cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106321989) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106321989
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namecis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cnccc1N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H16N2O2/c1-8-7-13-5-4-11(8)14-10-3-2-9(6-10)12(15)16/h4-5,7,9-10H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t9-,10+/m1/s1
InChIKeyZQPKKCJPDXXHHQ-ZJUUUORDSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 106321989) is cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid is Cc1cnccc1N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZQPKKCJPDXXHHQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-7-13-5-4-11(8)14-10-3-2-9(6-10)12(15)16/h4-5,7,9-10H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).