methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate

C17H20N2O4 — CID 69431961

IUPACmethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate
SMILESCCOC[C@H](NC(=O)c1cc2ccccc2cc1N)C(=O)OC
InChIInChI=1S/C17H20N2O4/c1-3-23-10-15(17(21)22-2)19-16(20)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,15H,3,10,18H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeySHKSMUXEKJEAOD-HNNXBMFYSA-N
MW316.36 g/mol
LogP1.73
Rot. Bonds6

About methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate

methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate (PubChem CID 69431961) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate
PubChem CID69431961
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate
SMILESCCOC[C@H](NC(=O)c1cc2ccccc2cc1N)C(=O)OC
InChIInChI=1S/C17H20N2O4/c1-3-23-10-15(17(21)22-2)19-16(20)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,15H,3,10,18H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeySHKSMUXEKJEAOD-HNNXBMFYSA-N
XLogP1.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate 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

(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid
CID 141145790
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-methoxybutanoate
CID 69435371
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate
CID 69439961
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900
2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid
CID 70817327
methyl 2-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 69207158
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 59948439
methyl (2R)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 90972320
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate?
The IUPAC name of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate (CID 69431961) is methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate.
What is the SMILES notation for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate?
The canonical SMILES for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate is CCOC[C@H](NC(=O)c1cc2ccccc2cc1N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate?
The InChIKey is SHKSMUXEKJEAOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-23-10-15(17(21)22-2)19-16(20)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,15H,3,10,18H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate?
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate has a molecular weight of 316.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate is sourced from PubChem (CID 69431961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).