methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate

C19H26N2O4 — CID 95319557

IUPACmethyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-13(20-17(22)15-6-4-5-7-15)18(23)21(2)12-14-8-10-16(11-9-14)19(24)25-3/h8-11,13,15H,4-7,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyCKWQEJWRYJIHLR-ZDUSSCGKSA-N
MW346.43 g/mol
LogP2.13
Rot. Bonds6

About methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate

methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate (PubChem CID 95319557) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate
PubChem CID95319557
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namemethyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-13(20-17(22)15-6-4-5-7-15)18(23)21(2)12-14-8-10-16(11-9-14)19(24)25-3/h8-11,13,15H,4-7,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyCKWQEJWRYJIHLR-ZDUSSCGKSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate with MolForge

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Related Compounds

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[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792773
methyl 4-[[methyl-[(3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]methyl]benzoate
CID 97061327
methyl 4-[[(2,2-dichlorocyclopropanecarbonyl)-methylamino]methyl]benzoate
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methyl 4-(2-cyclohexylethyl)benzoate
CID 134304144
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CID 30171573
methyl 4-[(N-cyclohexylanilino)methyl]benzoate
CID 174449163
1-[2-[2-(cyclopentanecarbonylamino)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236335
methyl 4-(bromomethyl)benzoate;methyl 4-[(dimethylamino)methyl]benzoate
CID 70071463
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
N-[(2R)-1-[3-(3,4-dimethoxyphenyl)propyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30174089

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate (CID 95319557) is methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate is COC(=O)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)C2CCCC2)cc1.
What is the InChIKey of methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate?
The InChIKey is CKWQEJWRYJIHLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(20-17(22)15-6-4-5-7-15)18(23)21(2)12-14-8-10-16(11-9-14)19(24)25-3/h8-11,13,15H,4-7,12H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate?
methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate has a molecular weight of 346.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[(2S)-2-(cyclopentanecarbonylamino)propanoyl]-methylamino]methyl]benzoate is sourced from PubChem (CID 95319557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).