(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid

C14H26N2O3 — CID 122099884

IUPAC(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NCC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-10(2)13(14(18)19)15-9-12(17)16-8-6-5-7-11(16)3/h10-11,13,15H,4-9H2,1-3H3,(H,18,19)/t10-,11?,13-/m0/s1
InChIKeyMMQHZEWRQUHALE-BJEKPXQXSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds6

About (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid (PubChem CID 122099884) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid
PubChem CID122099884
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NCC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-10(2)13(14(18)19)15-9-12(17)16-8-6-5-7-11(16)3/h10-11,13,15H,4-9H2,1-3H3,(H,18,19)/t10-,11?,13-/m0/s1
InChIKeyMMQHZEWRQUHALE-BJEKPXQXSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid with MolForge

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Related Compounds

3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
CID 43468436
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid
CID 61191277
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
(2S,3S)-2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100135
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid (CID 122099884) is (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid is CC[C@H](C)[C@H](NCC(=O)N1CCCCC1C)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid?
The InChIKey is MMQHZEWRQUHALE-BJEKPXQXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10(2)13(14(18)19)15-9-12(17)16-8-6-5-7-11(16)3/h10-11,13,15H,4-9H2,1-3H3,(H,18,19)/t10-,11?,13-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 6 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-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 122099884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).