(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid

C16H30N2O3 — CID 81120208

IUPAC(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)N(CC(C)C)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-5-14(6-2)18(10-12(3)4)16(21)17-9-7-8-13(11-17)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyREYULKBARSQUJV-CYBMUJFWSA-N
MW298.43 g/mol
LogP3.05
Rot. Bonds6

About (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120208) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120208
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)N(CC(C)C)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-5-14(6-2)18(10-12(3)4)16(21)17-9-7-8-13(11-17)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyREYULKBARSQUJV-CYBMUJFWSA-N
XLogP3.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 79491050
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150270
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
(3R)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120005

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 81120208) is (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid is CCC(CC)N(CC(C)C)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is REYULKBARSQUJV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-14(6-2)18(10-12(3)4)16(21)17-9-7-8-13(11-17)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).