(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid

C12H19NO5 — CID 66775083

IUPAC(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(=O)CC[C@@]1(C)C(=O)O
InChIInChI=1S/C12H19NO5/c1-11(2,3)18-10(17)13-7-8(14)5-6-12(13,4)9(15)16/h5-7H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyKYAKROHTYMPSOH-LBPRGKRZSA-N
MW257.29 g/mol
LogP1.43
Rot. Bonds1

About (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid

(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid (PubChem CID 66775083) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid
PubChem CID66775083
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(=O)CC[C@@]1(C)C(=O)O
InChIInChI=1S/C12H19NO5/c1-11(2,3)18-10(17)13-7-8(14)5-6-12(13,4)9(15)16/h5-7H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyKYAKROHTYMPSOH-LBPRGKRZSA-N
XLogP1.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid
CID 91509237
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
4-(methoxymethylidene)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 123177414
tert-butyl 2-methyl-4-oxo-2-phenylpyrrolidine-1-carboxylate
CID 86605055
4-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22324599
tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
(4S)-2,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 178070063
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 22309142
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidine-2-carboxylic acid
CID 126961989

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid?
The IUPAC name of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid (CID 66775083) is (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC(=O)CC[C@@]1(C)C(=O)O.
What is the InChIKey of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid?
The InChIKey is KYAKROHTYMPSOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO5/c1-11(2,3)18-10(17)13-7-8(14)5-6-12(13,4)9(15)16/h5-7H2,1-4H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid?
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 66775083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).