methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride

C17H24ClN3O4 — CID 119711546

IUPACmethyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C17H23N3O4.ClH/c1-24-17(23)11-19-15(21)8-12-4-6-14(7-5-12)20-16(22)10-18-9-13-2-3-13;/h4-7,13,18H,2-3,8-11H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyDCSPDXJRKDZYAA-UHFFFAOYSA-N
MW369.85 g/mol
LogP0.88
Rot. Bonds9

About methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride

methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride (PubChem CID 119711546) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
PubChem CID119711546
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Namemethyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C17H23N3O4.ClH/c1-24-17(23)11-19-15(21)8-12-4-6-14(7-5-12)20-16(22)10-18-9-13-2-3-13;/h4-7,13,18H,2-3,8-11H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyDCSPDXJRKDZYAA-UHFFFAOYSA-N
XLogP0.88
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride with MolForge

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Related Compounds

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CID 60866405
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride
CID 119769599
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
CID 119701886
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
methyl 2-[[2-[4-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781631
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride (CID 119711546) is methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride is COC(=O)CNC(=O)Cc1ccc(NC(=O)CNCC2CC2)cc1.Cl.
What is the InChIKey of methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride?
The InChIKey is DCSPDXJRKDZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4.ClH/c1-24-17(23)11-19-15(21)8-12-4-6-14(7-5-12)20-16(22)10-18-9-13-2-3-13;/h4-7,13,18H,2-3,8-11H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride?
methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride is sourced from PubChem (CID 119711546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).