5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid

C13H24N4O4 — CID 61188919

IUPAC5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid
SMILESCCCN1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-2-5-16-6-8-17(9-7-16)13(21)15-10(12(19)20)3-4-11(14)18/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20)
InChIKeyUJDQVBUSOKULOT-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.56
Rot. Bonds7

About 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid

5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid (PubChem CID 61188919) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid
PubChem CID61188919
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid
SMILESCCCN1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-2-5-16-6-8-17(9-7-16)13(21)15-10(12(19)20)3-4-11(14)18/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20)
InChIKeyUJDQVBUSOKULOT-UHFFFAOYSA-N
XLogP-0.56
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63615693
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62931188
(2S)-2-[[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]amino]pentanoic acid
CID 107566878
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
(2S)-5-amino-2-[(3-ethylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 113418287
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
(2R)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107830532

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid (CID 61188919) is 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid is CCCN1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1.
What is the InChIKey of 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid?
The InChIKey is UJDQVBUSOKULOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-2-5-16-6-8-17(9-7-16)13(21)15-10(12(19)20)3-4-11(14)18/h10H,2-9H2,1H3,(H2,14,18)(H,15,21)(H,19,20).
What are the key properties of 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid?
5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 61188919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).