5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C13H23N3O4 — CID 62931188

IUPAC5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1(C)CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-13(2)5-7-16(8-6-13)12(20)15-9(11(18)19)3-4-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyWPXCODJBODFSGX-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds5

About 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 62931188) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID62931188
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1(C)CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-13(2)5-7-16(8-6-13)12(20)15-9(11(18)19)3-4-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyWPXCODJBODFSGX-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid
CID 61188919
(2R)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107830532
(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 61196853
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 81115043
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
(2S)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 62931188) is 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is CC1(C)CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1.
What is the InChIKey of 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is WPXCODJBODFSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2)5-7-16(8-6-13)12(20)15-9(11(18)19)3-4-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62931188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).