2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid

C11H20N2O3 — CID 104913782

IUPAC2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C11H20N2O3/c1-3-9(11(15)16)13(2)10(14)8-6-4-5-7-12-8/h8-9,12H,3-7H2,1-2H3,(H,15,16)/t8-,9?/m1/s1
InChIKeyJSVTTZDOCZSANL-VEDVMXKPSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds4

About 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid

2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid (PubChem CID 104913782) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
PubChem CID104913782
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C11H20N2O3/c1-3-9(11(15)16)13(2)10(14)8-6-4-5-7-12-8/h8-9,12H,3-7H2,1-2H3,(H,15,16)/t8-,9?/m1/s1
InChIKeyJSVTTZDOCZSANL-VEDVMXKPSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-L-Lysine
CID 92907
IV
CID 435949
L-Lysine-L-valine
CID 6992341
Valyllysine
CID 168058
Dilysine
CID 128837
Ile-Val
CID 449407
Leucylvaline
CID 352038
Lysyl-Leucine
CID 7016103
Lys-Gly
CID 7022320
Lys-Ala
CID 7010504
Ala-Lys
CID 7016106
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic Acid
CID 446461

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid (CID 104913782) is 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)[C@H]1CCCCN1.
What is the InChIKey of 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid?
The InChIKey is JSVTTZDOCZSANL-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-9(11(15)16)13(2)10(14)8-6-4-5-7-12-8/h8-9,12H,3-7H2,1-2H3,(H,15,16)/t8-,9?/m1/s1.
What are the key properties of 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid?
2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 104913782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).