(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid

C11H20N2O3 — CID 28511990

IUPAC(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(2)6-12-11(16)13-5-3-4-9(7-13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyDCMBHCSWZAVBIX-SECBINFHSA-N
MW228.29 g/mol
LogP1.15
Rot. Bonds3

About (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 28511990) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID28511990
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(2)6-12-11(16)13-5-3-4-9(7-13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyDCMBHCSWZAVBIX-SECBINFHSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 102907206
(3S)-1-(2-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104861473
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888
1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 113405670
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid (CID 28511990) is (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid is CC(C)CNC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is DCMBHCSWZAVBIX-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)6-12-11(16)13-5-3-4-9(7-13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28511990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).