methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate

C19H21N5O3 — CID 167764158

IUPACmethyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate
SMILESCOC(=O)CC(NC(=O)c1ccc2cc(-c3nn[nH]n3)ccc2c1)C(C)C
InChIInChI=1S/C19H21N5O3/c1-11(2)16(10-17(25)27-3)20-19(26)15-7-5-12-8-14(6-4-13(12)9-15)18-21-23-24-22-18/h4-9,11,16H,10H2,1-3H3,(H,20,26)(H,21,22,23,24)
InChIKeyBTTBUGNGVKLDNM-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.34
Rot. Bonds6

About methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate

methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate (PubChem CID 167764158) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate
PubChem CID167764158
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Namemethyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate
SMILESCOC(=O)CC(NC(=O)c1ccc2cc(-c3nn[nH]n3)ccc2c1)C(C)C
InChIInChI=1S/C19H21N5O3/c1-11(2)16(10-17(25)27-3)20-19(26)15-7-5-12-8-14(6-4-13(12)9-15)18-21-23-24-22-18/h4-9,11,16H,10H2,1-3H3,(H,20,26)(H,21,22,23,24)
InChIKeyBTTBUGNGVKLDNM-UHFFFAOYSA-N
XLogP2.34
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate 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 methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate (CID 167764158) is methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate is COC(=O)CC(NC(=O)c1ccc2cc(-c3nn[nH]n3)ccc2c1)C(C)C.
What is the InChIKey of methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate?
The InChIKey is BTTBUGNGVKLDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11(2)16(10-17(25)27-3)20-19(26)15-7-5-12-8-14(6-4-13(12)9-15)18-21-23-24-22-18/h4-9,11,16H,10H2,1-3H3,(H,20,26)(H,21,22,23,24).
What are the key properties of methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate?
methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate has a molecular weight of 367.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 167764158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).