2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride

C14H21ClN2O3 — CID 119913207

IUPAC2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
SMILESCc1ccccc1CNC(=O)CN(C)C(C)C(=O)O.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10-6-4-5-7-12(10)8-15-13(17)9-16(3)11(2)14(18)19;/h4-7,11H,8-9H2,1-3H3,(H,15,17)(H,18,19);1H
InChIKeyRLSQMSKQUFDQKB-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.44
Rot. Bonds6

About 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride

2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride (PubChem CID 119913207) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
PubChem CID119913207
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
SMILESCc1ccccc1CNC(=O)CN(C)C(C)C(=O)O.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10-6-4-5-7-12(10)8-15-13(17)9-16(3)11(2)14(18)19;/h4-7,11H,8-9H2,1-3H3,(H,15,17)(H,18,19);1H
InChIKeyRLSQMSKQUFDQKB-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 86979728
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[methyl-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913244
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113160407
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
N-ethyl-2-[ethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]acetamide
CID 40700700
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride (CID 119913207) is 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride is Cc1ccccc1CNC(=O)CN(C)C(C)C(=O)O.Cl.
What is the InChIKey of 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride?
The InChIKey is RLSQMSKQUFDQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-10-6-4-5-7-12(10)8-15-13(17)9-16(3)11(2)14(18)19;/h4-7,11H,8-9H2,1-3H3,(H,15,17)(H,18,19);1H.
What are the key properties of 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride?
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).