methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate

C14H18N2O3 — CID 100667157

IUPACmethyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccncc1
InChIInChI=1S/C14H18N2O3/c1-9-7-11(9)14(18)16-12(8-13(17)19-2)10-3-5-15-6-4-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,16,18)/t9-,11-,12-/m0/s1
InChIKeyICSSYXVVEXGJLM-DLOVCJGASA-N
MW262.31 g/mol
LogP1.46
Rot. Bonds5

About methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate

methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate (PubChem CID 100667157) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate
PubChem CID100667157
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccncc1
InChIInChI=1S/C14H18N2O3/c1-9-7-11(9)14(18)16-12(8-13(17)19-2)10-3-5-15-6-4-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,16,18)/t9-,11-,12-/m0/s1
InChIKeyICSSYXVVEXGJLM-DLOVCJGASA-N
XLogP1.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate with MolForge

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Related Compounds

methyl 3-[(2-methylcyclopropanecarbonyl)amino]-3-(4-methylphenyl)propanoate
CID 42920466
methyl (3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-3-(4-methylphenyl)propanoate
CID 124822180
methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
CID 38590811
cis-(1S,2R)-2-[[(1R)-3-methoxy-1-(4-methylsulfanylphenyl)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11893368
cis-(1S,2R)-2-[[(1S)-3-methoxy-1-(4-methylsulfanylphenyl)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11893366
methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55474994
methyl 3-[(3-chloro-2-methylbenzoyl)amino]-3-pyridin-4-ylpropanoate
CID 119050142
methyl 3-[(4-methylpyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 63714612
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
methyl 3-(4-bromophenyl)-3-(oxane-4-carbonylamino)propanoate
CID 51256962
methyl 3-(4-aminophenyl)-3-(oxane-4-carbonylamino)propanoate
CID 57084051

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate?
The IUPAC name of methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate (CID 100667157) is methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate?
The canonical SMILES for methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate is COC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccncc1.
What is the InChIKey of methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate?
The InChIKey is ICSSYXVVEXGJLM-DLOVCJGASA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-7-11(9)14(18)16-12(8-13(17)19-2)10-3-5-15-6-4-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,16,18)/t9-,11-,12-/m0/s1.
What are the key properties of methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate?
methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate has a molecular weight of 262.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 100667157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).