5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid

C10H16N4O5 — CID 61181984

IUPAC5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)N1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C10H16N4O5/c11-7(15)2-1-6(9(17)18)13-10(19)14-4-3-12-8(16)5-14/h6H,1-5H2,(H2,11,15)(H,12,16)(H,13,19)(H,17,18)
InChIKeyRTTBMEGKTGXERK-UHFFFAOYSA-N
MW272.26 g/mol
LogP-2.15
Rot. Bonds5

About 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid

5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid (PubChem CID 61181984) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
PubChem CID61181984
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)N1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C10H16N4O5/c11-7(15)2-1-6(9(17)18)13-10(19)14-4-3-12-8(16)5-14/h6H,1-5H2,(H2,11,15)(H,12,16)(H,13,19)(H,17,18)
InChIKeyRTTBMEGKTGXERK-UHFFFAOYSA-N
XLogP-2.15
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 107825580
(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 107828142
(2R)-5-methoxy-5-oxo-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107828143
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63606784
(2R)-5-amino-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831186
2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 63004650
(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830881
(2S)-4-methyl-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363653
(2S)-2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]hexanoic acid
CID 107146054
(2R)-5-amino-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831204
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid (CID 61181984) is 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid is NC(=O)CCC(NC(=O)N1CCNC(=O)C1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The InChIKey is RTTBMEGKTGXERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c11-7(15)2-1-6(9(17)18)13-10(19)14-4-3-12-8(16)5-14/h6H,1-5H2,(H2,11,15)(H,12,16)(H,13,19)(H,17,18).
What are the key properties of 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid has a molecular weight of 272.26 g/mol, XLogP of -2.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 61181984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).