(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C13H23N3O4 — CID 104935529

IUPAC(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCCC(C)N1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8-4-3-5-9(2)16(8)13(20)15-10(12(18)19)6-7-11(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)/t8?,9?,10-/m1/s1
InChIKeyBIOIMIGCYZFBMV-UDNWOFFPSA-N
MW285.34 g/mol
LogP0.68
Rot. Bonds5

About (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 104935529) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID104935529
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCCC(C)N1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8-4-3-5-9(2)16(8)13(20)15-10(12(18)19)6-7-11(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)/t8?,9?,10-/m1/s1
InChIKeyBIOIMIGCYZFBMV-UDNWOFFPSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 107567758
(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
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560861
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560943
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
CID 107175319
(2S)-5-amino-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-5-oxopentanoic acid
CID 104959619
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 104935529) is (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is CC1CCCC(C)N1C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is BIOIMIGCYZFBMV-UDNWOFFPSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8-4-3-5-9(2)16(8)13(20)15-10(12(18)19)6-7-11(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 104935529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).