methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate

C19H21ClN2O3 — CID 71243030

IUPACmethyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate
SMILESCC[C@@H](NC(=O)C(N)c1cccc(Cl)c1)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H21ClN2O3/c1-3-16(12-7-9-13(10-8-12)19(24)25-2)22-18(23)17(21)14-5-4-6-15(20)11-14/h4-11,16-17H,3,21H2,1-2H3,(H,22,23)/t16-,17?/m1/s1
InChIKeyAEPSCXFKIPVPTC-TZHYSIJRSA-N
MW360.84 g/mol
LogP3.39
Rot. Bonds6

About methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate

methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate (PubChem CID 71243030) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate
PubChem CID71243030
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Namemethyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate
SMILESCC[C@@H](NC(=O)C(N)c1cccc(Cl)c1)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H21ClN2O3/c1-3-16(12-7-9-13(10-8-12)19(24)25-2)22-18(23)17(21)14-5-4-6-15(20)11-14/h4-11,16-17H,3,21H2,1-2H3,(H,22,23)/t16-,17?/m1/s1
InChIKeyAEPSCXFKIPVPTC-TZHYSIJRSA-N
XLogP3.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate with MolForge

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Related Compounds

2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
CID 64896597
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666
2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119820004

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate?
The IUPAC name of methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate (CID 71243030) is methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate.
What is the SMILES notation for methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate?
The canonical SMILES for methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate is CC[C@@H](NC(=O)C(N)c1cccc(Cl)c1)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate?
The InChIKey is AEPSCXFKIPVPTC-TZHYSIJRSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-16(12-7-9-13(10-8-12)19(24)25-2)22-18(23)17(21)14-5-4-6-15(20)11-14/h4-11,16-17H,3,21H2,1-2H3,(H,22,23)/t16-,17?/m1/s1.
What are the key properties of methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate?
methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate has a molecular weight of 360.84 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate is sourced from PubChem (CID 71243030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).