(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid

C15H28N2O3 — CID 102907206

IUPAC(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(CNC(=O)N1CCC[C@H](C(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)13(11(3)4)8-16-15(20)17-7-5-6-12(9-17)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyXFDVBSDXWIFMJJ-LBPRGKRZSA-N
MW284.40 g/mol
LogP2.42
Rot. Bonds5

About (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 102907206) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID102907206
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(CNC(=O)N1CCC[C@H](C(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)13(11(3)4)8-16-15(20)17-7-5-6-12(9-17)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyXFDVBSDXWIFMJJ-LBPRGKRZSA-N
XLogP2.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104861473
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
1-(2-ethylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 107817343
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid (CID 102907206) is (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid is CC(C)C(CNC(=O)N1CCC[C@H](C(=O)O)C1)C(C)C.
What is the InChIKey of (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XFDVBSDXWIFMJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)13(11(3)4)8-16-15(20)17-7-5-6-12(9-17)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 102907206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).