2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid

C12H20N2O4 — CID 124570818

IUPAC2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
SMILESCN1CC[C@@H](C(=O)NCC(C)(C)C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-12(2,11(17)18)7-13-10(16)8-4-5-14(3)9(15)6-8/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeyUSZLDDWOKCMQJK-MRVPVSSYSA-N
MW256.30 g/mol
LogP0.08
Rot. Bonds4

About 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid

2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid (PubChem CID 124570818) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
PubChem CID124570818
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
SMILESCN1CC[C@@H](C(=O)NCC(C)(C)C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-12(2,11(17)18)7-13-10(16)8-4-5-14(3)9(15)6-8/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeyUSZLDDWOKCMQJK-MRVPVSSYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 124610332
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
CID 119607916
3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249485
2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115910003
3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid
CID 81369711
(3R)-3-(4-tert-butylphenyl)-3-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 99645041
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid (CID 124570818) is 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid is CN1CC[C@@H](C(=O)NCC(C)(C)C(=O)O)CC1=O.
What is the InChIKey of 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is USZLDDWOKCMQJK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,11(17)18)7-13-10(16)8-4-5-14(3)9(15)6-8/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)/t8-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid?
2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 124570818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).