(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid

C10H17N3O4 — CID 107565066

IUPAC(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CNC(=O)CN1)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-3-6(10(16)17)13-9(15)7-4-12-8(14)5-11-7/h6-7,11H,2-5H2,1H3,(H,12,14)(H,13,15)(H,16,17)/t6-,7?/m1/s1
InChIKeyDETWQMWKISVQIZ-ULUSZKPHSA-N
MW243.26 g/mol
LogP-1.56
Rot. Bonds5

About (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid

(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid (PubChem CID 107565066) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
PubChem CID107565066
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CNC(=O)CN1)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-3-6(10(16)17)13-9(15)7-4-12-8(14)5-11-7/h6-7,11H,2-5H2,1H3,(H,12,14)(H,13,15)(H,16,17)/t6-,7?/m1/s1
InChIKeyDETWQMWKISVQIZ-ULUSZKPHSA-N
XLogP-1.56
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107435545
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
(2S)-3-(1H-imidazol-5-yl)-2-[(5-oxopiperazine-2-carbonyl)amino]propanoic acid
CID 107435629
(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
(2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869739
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid (CID 107565066) is (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)C1CNC(=O)CN1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid?
The InChIKey is DETWQMWKISVQIZ-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-3-6(10(16)17)13-9(15)7-4-12-8(14)5-11-7/h6-7,11H,2-5H2,1H3,(H,12,14)(H,13,15)(H,16,17)/t6-,7?/m1/s1.
What are the key properties of (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid?
(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107565066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).