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

C14H24N2O3 — CID 81120598

IUPAC(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)CN(C(=O)N1CCC[C@@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-10(2)8-16(12-5-6-12)14(19)15-7-3-4-11(9-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyRTZORFQOWJALFR-LLVKDONJSA-N
MW268.36 g/mol
LogP2.02
Rot. Bonds4

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

(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120598) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120598
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)CN(C(=O)N1CCC[C@@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-10(2)8-16(12-5-6-12)14(19)15-7-3-4-11(9-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyRTZORFQOWJALFR-LLVKDONJSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
N-cyclopropyl-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 116654963
(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120208
(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81118602
(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120227
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
CID 102865230
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43570509
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-[2-(3-methylbutylsulfanyl)acetyl]piperidine-3-carboxylic acid
CID 119167488

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid (CID 81120598) is (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid is CC(C)CN(C(=O)N1CCC[C@@H](C(=O)O)C1)C1CC1.
What is the InChIKey of (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RTZORFQOWJALFR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)8-16(12-5-6-12)14(19)15-7-3-4-11(9-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).