2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid

C14H20ClNO2 — CID 114081567

IUPAC2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-10(2)16(9-14(17)18)11(3)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
InChIKeyXDQOROAKOFSVJV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.07
Rot. Bonds6

About 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid

2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid (PubChem CID 114081567) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
PubChem CID114081567
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-10(2)16(9-14(17)18)11(3)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
InChIKeyXDQOROAKOFSVJV-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 56793619
2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide
CID 56793685
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
(2S)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822955
methyl 4-(4-chlorophenyl)-3-methyl-2-oxobutanoate
CID 123596283
2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
CID 115496222
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65057052
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177
2-[1-(3-chlorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65056740

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid (CID 114081567) is 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid?
The InChIKey is XDQOROAKOFSVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)16(9-14(17)18)11(3)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid?
2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid has a molecular weight of 269.77 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 114081567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).