5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C16H22N2O3 — CID 57149164

IUPAC5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCCc1cccc2c1CCC(NC(=O)CNC)(C(=O)O)C2
InChIInChI=1S/C16H22N2O3/c1-3-11-5-4-6-12-9-16(15(20)21,8-7-13(11)12)18-14(19)10-17-2/h4-6,17H,3,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQERNXSFUUIWKOB-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.90
Rot. Bonds5

About 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 57149164) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID57149164
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCCc1cccc2c1CCC(NC(=O)CNC)(C(=O)O)C2
InChIInChI=1S/C16H22N2O3/c1-3-11-5-4-6-12-9-16(15(20)21,8-7-13(11)12)18-14(19)10-17-2/h4-6,17H,3,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQERNXSFUUIWKOB-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic 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

2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989844
(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 15200028
tert-butyl N-(2,8-diethyl-3,4-dihydro-1H-naphthalen-2-yl)carbamate
CID 91156765
1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
CID 65450960
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 80740936
(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 13187696
(2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54198997
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60795603
2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 61001565

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 57149164) is 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is CCc1cccc2c1CCC(NC(=O)CNC)(C(=O)O)C2.
What is the InChIKey of 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is QERNXSFUUIWKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11-5-4-6-12-9-16(15(20)21,8-7-13(11)12)18-14(19)10-17-2/h4-6,17H,3,7-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[2-(methylamino)acetyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 57149164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).