2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C15H26N2O4 — CID 106234667

IUPAC2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESNC(=O)CCCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c16-12(18)6-2-5-9-17-13(19)10-15(11-14(20)21)7-3-1-4-8-15/h1-11H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyDPFXGJGQOZKHGO-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.57
Rot. Bonds9

About 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 106234667) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID106234667
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESNC(=O)CCCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c16-12(18)6-2-5-9-17-13(19)10-15(11-14(20)21)7-3-1-4-8-15/h1-11H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyDPFXGJGQOZKHGO-UHFFFAOYSA-N
XLogP1.57
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 63297334
2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106305125
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[3-[methyl(propan-2-yl)amino]propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032490
2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 143157350
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071499
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 106234667) is 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is NC(=O)CCCCNC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is DPFXGJGQOZKHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c16-12(18)6-2-5-9-17-13(19)10-15(11-14(20)21)7-3-1-4-8-15/h1-11H2,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.57, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 106234667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).