(2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid

C11H20N2O3 — CID 944412

IUPAC(2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid
SMILESCC(C)[C@H](NC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2)9(10(14)15)12-11(16)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyUTEWMQZYBALEJM-VIFPVBQESA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds3

About (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid

(2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid (PubChem CID 944412) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid
PubChem CID944412
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid
SMILESCC(C)[C@H](NC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2)9(10(14)15)12-11(16)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyUTEWMQZYBALEJM-VIFPVBQESA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid (CID 944412) is (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid is CC(C)[C@H](NC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid?
The InChIKey is UTEWMQZYBALEJM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)9(10(14)15)12-11(16)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid?
(2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(piperidine-1-carbonylamino)butanoic acid is sourced from PubChem (CID 944412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).