1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid

C15H24N2O4 — CID 62093083

IUPAC1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)NC1CCCNC1=O
InChIInChI=1S/C15H24N2O4/c18-12(17-11-6-5-9-16-13(11)19)10-15(14(20)21)7-3-1-2-4-8-15/h11H,1-10H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyNHRDZMYQNAIMKZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.20
Rot. Bonds4

About 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid

1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid (PubChem CID 62093083) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid
PubChem CID62093083
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)NC1CCCNC1=O
InChIInChI=1S/C15H24N2O4/c18-12(17-11-6-5-9-16-13(11)19)10-15(14(20)21)7-3-1-2-4-8-15/h11H,1-10H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyNHRDZMYQNAIMKZ-UHFFFAOYSA-N
XLogP1.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid
CID 115000498
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
1-amino-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307987
1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 114155350
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
1-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 63661531
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
CID 115447574
1-amino-N-(2-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 65466237

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid (CID 62093083) is 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCCC1)NC1CCCNC1=O.
What is the InChIKey of 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid?
The InChIKey is NHRDZMYQNAIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-12(17-11-6-5-9-16-13(11)19)10-15(14(20)21)7-3-1-2-4-8-15/h11H,1-10H2,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid?
1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 62093083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).