ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid

C19H21N3O3 — CID 144761202

IUPACethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
SMILESCC.O=C(O)CCCC(=O)Nc1cc2cccnc2c2ncccc12
InChIInChI=1S/C17H15N3O3.C2H6/c21-14(6-1-7-15(22)23)20-13-10-11-4-2-8-18-16(11)17-12(13)5-3-9-19-17;1-2/h2-5,8-10H,1,6-7H2,(H,20,21)(H,22,23);1-2H3
InChIKeyKDDKMOHBLUOUNJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.00
Rot. Bonds5

About ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid

ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid (PubChem CID 144761202) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid.

Molecular Properties

Compound Nameethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
PubChem CID144761202
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nameethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
SMILESCC.O=C(O)CCCC(=O)Nc1cc2cccnc2c2ncccc12
InChIInChI=1S/C17H15N3O3.C2H6/c21-14(6-1-7-15(22)23)20-13-10-11-4-2-8-18-16(11)17-12(13)5-3-9-19-17;1-2/h2-5,8-10H,1,6-7H2,(H,20,21)(H,22,23);1-2H3
InChIKeyKDDKMOHBLUOUNJ-UHFFFAOYSA-N
XLogP4.00
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic 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

10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
CID 68544848
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834
methyl 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoate
CID 68545365
azanide;2-[bis[2-[carboxymethyl-[2-oxo-2-(1,10-phenanthrolin-5-ylamino)ethyl]amino]ethyl]amino]acetic acid;carbanide;gadolinium(3+);bis(iridium)
CID 171460074
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
4-amino-N-(1,10-phenanthrolin-5-yl)butanamide;4-N-(3-aminopropyl)-7-N-methyl-1,10-phenanthroline-4,7-dicarboxamide
CID 162227256
3-ethyl-3-methyl-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 144610995
4-(4,4-dimethyl-2,6-dioxocyclohexyl)-4-oxo-N-(1,10-phenanthrolin-5-yl)butanamide
CID 91324787
5-[[2-[6-[3-(4-carboxybutanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]amino]-5-oxopentanoic acid
CID 155426767
N-benzo[h]quinolin-4-ylpentanamide
CID 46307999
N-quinolin-8-ylundecanamide
CID 3567928
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292

Frequently Asked Questions

What is the IUPAC name of ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid?
The IUPAC name of ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid (CID 144761202) is ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid.
What is the SMILES notation for ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid?
The canonical SMILES for ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid is CC.O=C(O)CCCC(=O)Nc1cc2cccnc2c2ncccc12.
What is the InChIKey of ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid?
The InChIKey is KDDKMOHBLUOUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3.C2H6/c21-14(6-1-7-15(22)23)20-13-10-11-4-2-8-18-16(11)17-12(13)5-3-9-19-17;1-2/h2-5,8-10H,1,6-7H2,(H,20,21)(H,22,23);1-2H3.
What are the key properties of ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid?
ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid has a molecular weight of 339.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid is sourced from PubChem (CID 144761202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).