2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid

C13H23N3O4 — CID 63606952

IUPAC2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)N1CCNC(=O)C1(C)C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-4-5-6-9(10(17)18)15-12(20)16-8-7-14-11(19)13(16,2)3/h9H,4-8H2,1-3H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyDUJGHISGXGYAJD-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.55
Rot. Bonds5

About 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid

2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid (PubChem CID 63606952) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid
PubChem CID63606952
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)N1CCNC(=O)C1(C)C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-4-5-6-9(10(17)18)15-12(20)16-8-7-14-11(19)13(16,2)3/h9H,4-8H2,1-3H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyDUJGHISGXGYAJD-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63606784
4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 63608085
(2S)-2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]hexanoic acid
CID 107146054
(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
CID 107146319
3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175544
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]hexanoic acid
CID 79095247
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63607222
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
CID 53017589
2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 63004650
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid (CID 63606952) is 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)N1CCNC(=O)C1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid?
The InChIKey is DUJGHISGXGYAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-5-6-9(10(17)18)15-12(20)16-8-7-14-11(19)13(16,2)3/h9H,4-8H2,1-3H3,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid?
2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 63606952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).