2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid

C15H22ClNO2 — CID 65064776

IUPAC2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid
SMILESCCC(c1cccc(Cl)c1)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H22ClNO2/c1-4-14(12-6-5-7-13(16)8-12)17(9-11(2)3)10-15(18)19/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyHYKCKGJIGSIMIN-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.83
Rot. Bonds7

About 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid

2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid (PubChem CID 65064776) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid
PubChem CID65064776
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid
SMILESCCC(c1cccc(Cl)c1)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H22ClNO2/c1-4-14(12-6-5-7-13(16)8-12)17(9-11(2)3)10-15(18)19/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyHYKCKGJIGSIMIN-UHFFFAOYSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenyl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265740
2-[carboxymethyl-[1-(4-chlorophenyl)propyl]amino]acetic acid
CID 65065919
2-[1-(3-chlorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65056740
2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
CID 119346309
2-[[2-(3-chlorophenyl)-3-methylbutanoyl]-methylamino]acetic acid
CID 119346472
2-(3-chlorophenyl)-6-methylheptanoic acid
CID 83158941
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
3-(3-chlorophenyl)butanoic acid
CID 71683749
2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
benzhydryl (2R)-2-(3-chlorophenyl)butanoate
CID 25198719
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid (CID 65064776) is 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid is CCC(c1cccc(Cl)c1)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is HYKCKGJIGSIMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-14(12-6-5-7-13(16)8-12)17(9-11(2)3)10-15(18)19/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid?
2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 283.80 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65064776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).