(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid

C17H20N2O5 — CID 141145790

IUPAC(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid
SMILESCOCCOC[C@H](NC(=O)c1cc2ccccc2cc1N)C(=O)O
InChIInChI=1S/C17H20N2O5/c1-23-6-7-24-10-15(17(21)22)19-16(20)13-8-11-4-2-3-5-12(11)9-14(13)18/h2-5,8-9,15H,6-7,10,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyALAZMHJLMKVONP-HNNXBMFYSA-N
MW332.36 g/mol
LogP1.27
Rot. Bonds8

About (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid

(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid (PubChem CID 141145790) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid
PubChem CID141145790
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid
SMILESCOCCOC[C@H](NC(=O)c1cc2ccccc2cc1N)C(=O)O
InChIInChI=1S/C17H20N2O5/c1-23-6-7-24-10-15(17(21)22)19-16(20)13-8-11-4-2-3-5-12(11)9-14(13)18/h2-5,8-9,15H,6-7,10,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyALAZMHJLMKVONP-HNNXBMFYSA-N
XLogP1.27
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic 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 (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid?
The IUPAC name of (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid (CID 141145790) is (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid.
What is the SMILES notation for (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid?
The canonical SMILES for (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid is COCCOC[C@H](NC(=O)c1cc2ccccc2cc1N)C(=O)O.
What is the InChIKey of (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid?
The InChIKey is ALAZMHJLMKVONP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-23-6-7-24-10-15(17(21)22)19-16(20)13-8-11-4-2-3-5-12(11)9-14(13)18/h2-5,8-9,15H,6-7,10,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid?
(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid has a molecular weight of 332.36 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid is sourced from PubChem (CID 141145790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).