(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid

C13H24N2O3 — CID 107567758

IUPAC(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-6-11(12(16)17)14-13(18)15-9(2)7-5-8-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9-,10+,11-/m1/s1
InChIKeyMYRYEYPOFWWBTC-OUAUKWLOSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds4

About (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid

(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 107567758) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
PubChem CID107567758
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-6-11(12(16)17)14-13(18)15-9(2)7-5-8-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9-,10+,11-/m1/s1
InChIKeyMYRYEYPOFWWBTC-OUAUKWLOSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
(2S)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61191560
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 15199488
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566820
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 61190709
(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104935278
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid (CID 107567758) is (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is MYRYEYPOFWWBTC-OUAUKWLOSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-6-11(12(16)17)14-13(18)15-9(2)7-5-8-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9-,10+,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid?
(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107567758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).