(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid

C12H22N2O4 — CID 104935278

IUPAC(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC1CCCC(C)N1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C12H22N2O4/c1-7-5-4-6-8(2)14(7)12(18)13-10(9(3)15)11(16)17/h7-10,15H,4-6H2,1-3H3,(H,13,18)(H,16,17)/t7?,8?,9-,10+/m1/s1
InChIKeySKUGQOGHXHXSRL-BMNUFHGDSA-N
MW258.32 g/mol
LogP0.79
Rot. Bonds3

About (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid

(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 104935278) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID104935278
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC1CCCC(C)N1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C12H22N2O4/c1-7-5-4-6-8(2)14(7)12(18)13-10(9(3)15)11(16)17/h7-10,15H,4-6H2,1-3H3,(H,13,18)(H,16,17)/t7?,8?,9-,10+/m1/s1
InChIKeySKUGQOGHXHXSRL-BMNUFHGDSA-N
XLogP0.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 61190709
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
(2S,3R)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxybutanoic acid
CID 104966476
3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61226028
(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 107567758
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 104968030
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 15199488
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
(2S,3R)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 106670572
(2S,3R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104966194
(2S,3R)-2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-3-hydroxybutanoic acid
CID 104966101
(2S,3R)-3-hydroxy-2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104965962

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid (CID 104935278) is (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid is CC1CCCC(C)N1C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is SKUGQOGHXHXSRL-BMNUFHGDSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-7-5-4-6-8(2)14(7)12(18)13-10(9(3)15)11(16)17/h7-10,15H,4-6H2,1-3H3,(H,13,18)(H,16,17)/t7?,8?,9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104935278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).