cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid

C15H20N2O3 — CID 166275317

IUPACcis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCCc1ccc(NC(=O)[C@]2(C(C)C)C[C@@H]2C(=O)O)nc1
InChIInChI=1S/C15H20N2O3/c1-4-10-5-6-12(16-8-10)17-14(20)15(9(2)3)7-11(15)13(18)19/h5-6,8-9,11H,4,7H2,1-3H3,(H,18,19)(H,16,17,20)/t11-,15+/m1/s1
InChIKeyHINWTVJAOIUEQP-ABAIWWIYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds5

About cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid

cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 166275317) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID166275317
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namecis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCCc1ccc(NC(=O)[C@]2(C(C)C)C[C@@H]2C(=O)O)nc1
InChIInChI=1S/C15H20N2O3/c1-4-10-5-6-12(16-8-10)17-14(20)15(9(2)3)7-11(15)13(18)19/h5-6,8-9,11H,4,7H2,1-3H3,(H,18,19)(H,16,17,20)/t11-,15+/m1/s1
InChIKeyHINWTVJAOIUEQP-ABAIWWIYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-bromoethyl)-2-pyridinyl]carbamic acid
CID 174508330
N-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanamide
CID 82343659
2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide
CID 163238093
N-(5-ethyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 139271830
N'-(5-ethyl-2-pyridinyl)-N-(1-formylpiperidin-4-yl)oxamide
CID 143305509
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113032476
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea
CID 138026074
2-[(5-ethyl-2-pyridinyl)amino]ethanol
CID 58961616
N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen
CID 143849995
N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide
CID 19385019
N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 20739781

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 166275317) is cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid is CCc1ccc(NC(=O)[C@]2(C(C)C)C[C@@H]2C(=O)O)nc1.
What is the InChIKey of cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is HINWTVJAOIUEQP-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-10-5-6-12(16-8-10)17-14(20)15(9(2)3)7-11(15)13(18)19/h5-6,8-9,11H,4,7H2,1-3H3,(H,18,19)(H,16,17,20)/t11-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid?
cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(5-ethyl-2-pyridinyl)carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 166275317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).