methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride

C15H23ClN2O3 — CID 120705550

IUPACmethyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride
SMILESCNCC(=O)NC(CCC(=O)OC)Cc1ccccc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-16-11-14(18)17-13(8-9-15(19)20-2)10-12-6-4-3-5-7-12;/h3-7,13,16H,8-11H2,1-2H3,(H,17,18);1H
InChIKeyZCNRKBQEIHBIJP-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.31
Rot. Bonds8

About methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride

methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride (PubChem CID 120705550) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride
PubChem CID120705550
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Namemethyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride
SMILESCNCC(=O)NC(CCC(=O)OC)Cc1ccccc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-16-11-14(18)17-13(8-9-15(19)20-2)10-12-6-4-3-5-7-12;/h3-7,13,16H,8-11H2,1-2H3,(H,17,18);1H
InChIKeyZCNRKBQEIHBIJP-UHFFFAOYSA-N
XLogP1.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
CID 69428404
[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
CID 162451826
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
methyl (4S)-4-[4-(4-methylsulfonylphenoxy)butanoylamino]-5-phenylpentanoate
CID 97251004
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 119766313
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122077963

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride?
The IUPAC name of methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride (CID 120705550) is methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride.
What is the SMILES notation for methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride?
The canonical SMILES for methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride is CNCC(=O)NC(CCC(=O)OC)Cc1ccccc1.Cl.
What is the InChIKey of methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride?
The InChIKey is ZCNRKBQEIHBIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-16-11-14(18)17-13(8-9-15(19)20-2)10-12-6-4-3-5-7-12;/h3-7,13,16H,8-11H2,1-2H3,(H,17,18);1H.
What are the key properties of methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride?
methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride is sourced from PubChem (CID 120705550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).