methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate

C17H24N2O3 — CID 95782138

IUPACmethyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate
SMILESCCC(CC)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)C(=O)OC
InChIInChI=1S/C17H24N2O3/c1-4-11(5-2)15(17(21)22-3)19-16(20)14-9-13(14)12-7-6-8-18-10-12/h6-8,10-11,13-15H,4-5,9H2,1-3H3,(H,19,20)/t13-,14+,15+/m1/s1
InChIKeyUYQRXUOMRZCTOS-ILXRZTDVSA-N
MW304.39 g/mol
LogP2.28
Rot. Bonds7

About methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate

methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate (PubChem CID 95782138) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate
PubChem CID95782138
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate
SMILESCCC(CC)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)C(=O)OC
InChIInChI=1S/C17H24N2O3/c1-4-11(5-2)15(17(21)22-3)19-16(20)14-9-13(14)12-7-6-8-18-10-12/h6-8,10-11,13-15H,4-5,9H2,1-3H3,(H,19,20)/t13-,14+,15+/m1/s1
InChIKeyUYQRXUOMRZCTOS-ILXRZTDVSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate with MolForge

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Related Compounds

methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124840237
2-pyridin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 49323730
2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
CID 86777242
N-[2-(4-chlorophenoxy)propyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 71993784
(2S,3S)-2-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 97324073
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 71882970
trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide
CID 94388489

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate?
The IUPAC name of methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate (CID 95782138) is methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate.
What is the SMILES notation for methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate?
The canonical SMILES for methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate is CCC(CC)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)C(=O)OC.
What is the InChIKey of methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate?
The InChIKey is UYQRXUOMRZCTOS-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-11(5-2)15(17(21)22-3)19-16(20)14-9-13(14)12-7-6-8-18-10-12/h6-8,10-11,13-15H,4-5,9H2,1-3H3,(H,19,20)/t13-,14+,15+/m1/s1.
What are the key properties of methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate?
methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate has a molecular weight of 304.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate is sourced from PubChem (CID 95782138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).