(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid

C11H18N4O5 — CID 107830881

IUPAC(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1C(=O)NCCN1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H18N4O5/c1-6-9(17)13-4-5-15(6)11(20)14-7(10(18)19)2-3-8(12)16/h6-7H,2-5H2,1H3,(H2,12,16)(H,13,17)(H,14,20)(H,18,19)/t6?,7-/m1/s1
InChIKeyPQCDPJPIBVKXJN-COBSHVIPSA-N
MW286.29 g/mol
LogP-1.76
Rot. Bonds5

About (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107830881) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107830881
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1C(=O)NCCN1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H18N4O5/c1-6-9(17)13-4-5-15(6)11(20)14-7(10(18)19)2-3-8(12)16/h6-7H,2-5H2,1H3,(H2,12,16)(H,13,17)(H,14,20)(H,18,19)/t6?,7-/m1/s1
InChIKeyPQCDPJPIBVKXJN-COBSHVIPSA-N
XLogP-1.76
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 66076222
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992
(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63606784
(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 107839956
5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 61181984
3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 81069306
4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027113
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
(2S)-2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)-5-amino-5-oxopentanoic acid
CID 82753203
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid (CID 107830881) is (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid is CC1C(=O)NCCN1C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is PQCDPJPIBVKXJN-COBSHVIPSA-N. The full InChI is InChI=1S/C11H18N4O5/c1-6-9(17)13-4-5-15(6)11(20)14-7(10(18)19)2-3-8(12)16/h6-7H,2-5H2,1H3,(H2,12,16)(H,13,17)(H,14,20)(H,18,19)/t6?,7-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 286.29 g/mol, XLogP of -1.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).