(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid

C11H17N3O6 — CID 64695756

IUPAC(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid
SMILESCN1CCN(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1=O
InChIInChI=1S/C11H17N3O6/c1-13-4-5-14(6-8(13)15)11(20)12-7(10(18)19)2-3-9(16)17/h7H,2-6H2,1H3,(H,12,20)(H,16,17)(H,18,19)/t7-/m0/s1
InChIKeyDKBLSNNNRYYUEM-ZETCQYMHSA-N
MW287.27 g/mol
LogP-1.21
Rot. Bonds5

About (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid

(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid (PubChem CID 64695756) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid
PubChem CID64695756
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid
SMILESCN1CCN(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1=O
InChIInChI=1S/C11H17N3O6/c1-13-4-5-14(6-8(13)15)11(20)12-7(10(18)19)2-3-9(16)17/h7H,2-6H2,1H3,(H,12,20)(H,16,17)(H,18,19)/t7-/m0/s1
InChIKeyDKBLSNNNRYYUEM-ZETCQYMHSA-N
XLogP-1.21
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid with MolForge

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Related Compounds

2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 64694323
(2R)-5-amino-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831186
(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 112734917
2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102891217
(2R)-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102891058
(2S)-4-amino-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-oxobutanoic acid
CID 102891177
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]pentanedioic acid
CID 61193503
2-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
CID 64693278
2-[(3,4-dimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 63605099
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 114007573
2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 114538855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid (CID 64695756) is (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid is CN1CCN(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1=O.
What is the InChIKey of (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid?
The InChIKey is DKBLSNNNRYYUEM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N3O6/c1-13-4-5-14(6-8(13)15)11(20)12-7(10(18)19)2-3-9(16)17/h7H,2-6H2,1H3,(H,12,20)(H,16,17)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid?
(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid has a molecular weight of 287.27 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 64695756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).