methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate

C15H26N2O4 — CID 100620951

IUPACmethyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)[C@@](C)(O)CN1CCC[C@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(20,14(19)21-2)10-17-7-3-4-12(9-17)13(18)16-8-11-5-6-11/h11-12,20H,3-10H2,1-2H3,(H,16,18)/t12-,15-/m0/s1
InChIKeyRGLVOMJWKATBCK-WFASDCNBSA-N
MW298.38 g/mol
LogP0.15
Rot. Bonds6

About methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate

methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate (PubChem CID 100620951) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate
PubChem CID100620951
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)[C@@](C)(O)CN1CCC[C@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(20,14(19)21-2)10-17-7-3-4-12(9-17)13(18)16-8-11-5-6-11/h11-12,20H,3-10H2,1-2H3,(H,16,18)/t12-,15-/m0/s1
InChIKeyRGLVOMJWKATBCK-WFASDCNBSA-N
XLogP0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 103196579
(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
ethyl 6-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]hexanoate
CID 95346670
methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
CID 113402427
methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
CID 102984510
1-(cyclobutylmethyl)-N-(methoxymethyl)piperidine-3-carboxamide
CID 170901296
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
CID 103535263
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate (CID 100620951) is methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate is COC(=O)[C@@](C)(O)CN1CCC[C@H](C(=O)NCC2CC2)C1.
What is the InChIKey of methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate?
The InChIKey is RGLVOMJWKATBCK-WFASDCNBSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(20,14(19)21-2)10-17-7-3-4-12(9-17)13(18)16-8-11-5-6-11/h11-12,20H,3-10H2,1-2H3,(H,16,18)/t12-,15-/m0/s1.
What are the key properties of methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate?
methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate has a molecular weight of 298.38 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 100620951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).