2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid

C13H18N4O3 — CID 70945544

IUPAC2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)N1CCc2cccnc2C1)C(=O)O
InChIInChI=1S/C13H18N4O3/c14-10(12(18)19)3-6-16-13(20)17-7-4-9-2-1-5-15-11(9)8-17/h1-2,5,10H,3-4,6-8,14H2,(H,16,20)(H,18,19)
InChIKeyMSSRMZCYBYDDHQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.05
Rot. Bonds4

About 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid

2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid (PubChem CID 70945544) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid
PubChem CID70945544
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)N1CCc2cccnc2C1)C(=O)O
InChIInChI=1S/C13H18N4O3/c14-10(12(18)19)3-6-16-13(20)17-7-4-9-2-1-5-15-11(9)8-17/h1-2,5,10H,3-4,6-8,14H2,(H,16,20)(H,18,19)
InChIKeyMSSRMZCYBYDDHQ-UHFFFAOYSA-N
XLogP-0.05
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid?
The IUPAC name of 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid (CID 70945544) is 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid is NC(CCNC(=O)N1CCc2cccnc2C1)C(=O)O.
What is the InChIKey of 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid?
The InChIKey is MSSRMZCYBYDDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-10(12(18)19)3-6-16-13(20)17-7-4-9-2-1-5-15-11(9)8-17/h1-2,5,10H,3-4,6-8,14H2,(H,16,20)(H,18,19).
What are the key properties of 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid?
2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid has a molecular weight of 278.31 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid is sourced from PubChem (CID 70945544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).