(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid

C13H24N2O3 — CID 11242297

IUPAC(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-9(2)11(13(17)18)14-12(16)10-7-5-6-8-15(10)3/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)/t9-,10+,11-/m0/s1
InChIKeyIZMRWHZMPMZNNK-AXFHLTTASA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds5

About (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid (PubChem CID 11242297) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid
PubChem CID11242297
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-9(2)11(13(17)18)14-12(16)10-7-5-6-8-15(10)3/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)/t9-,10+,11-/m0/s1
InChIKeyIZMRWHZMPMZNNK-AXFHLTTASA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glycyl-L-leucine
CID 92843
Diprotin A
CID 94701
L-Leucyl-L-alanine
CID 81721
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801
Ala-Ile
CID 7408079
Glycylisoleucine
CID 259613
IV
CID 435949
Leucyl-Isoleucine
CID 435718
Ile-Leu
CID 7019083
glycyl-L-isoleucine
CID 88079
Ac-Leu-Leu-Norleucinol
CID 446403

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid (CID 11242297) is (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is IZMRWHZMPMZNNK-AXFHLTTASA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-9(2)11(13(17)18)14-12(16)10-7-5-6-8-15(10)3/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)/t9-,10+,11-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 11242297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).