5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid

C15H19NO3 — CID 17435174

IUPAC5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H19NO3/c17-14(9-4-10-15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h3,6,8H,1-2,4-5,7,9-10H2,(H,16,17)(H,18,19)
InChIKeyMIGPQRRKCVAXAP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.76
Rot. Bonds5

About 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid

5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid (PubChem CID 17435174) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
PubChem CID17435174
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H19NO3/c17-14(9-4-10-15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h3,6,8H,1-2,4-5,7,9-10H2,(H,16,17)(H,18,19)
InChIKeyMIGPQRRKCVAXAP-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-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

N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 8797217
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 47175572
5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
CID 20629238
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide
CID 26515879
2-(cyclopropylmethylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 60841919
5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
CID 12646162

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid (CID 17435174) is 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid is O=C(O)CCCC(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid?
The InChIKey is MIGPQRRKCVAXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(9-4-10-15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h3,6,8H,1-2,4-5,7,9-10H2,(H,16,17)(H,18,19).
What are the key properties of 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid?
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid is sourced from PubChem (CID 17435174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).