(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid

C10H17NO4 — CID 81119636

IUPAC(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
SMILESCC(C)OC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-7(2)15-10(14)11-5-3-4-8(6-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyXFIULYHNPGYVKF-MRVPVSSYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds2

About (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid

(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid (PubChem CID 81119636) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
PubChem CID81119636
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
SMILESCC(C)OC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-7(2)15-10(14)11-5-3-4-8(6-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyXFIULYHNPGYVKF-MRVPVSSYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
CID 177326825
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
1-acetylpiperidine-3-carboxylic acid
CID 14043896
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
CID 130806171
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854

Frequently Asked Questions

What is the IUPAC name of (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid (CID 81119636) is (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid is CC(C)OC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid?
The InChIKey is XFIULYHNPGYVKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)15-10(14)11-5-3-4-8(6-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid?
(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 81119636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).