2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid

C14H18ClNO3 — CID 114075737

IUPAC2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1ccc(Cl)cc1C
InChIInChI=1S/C14H18ClNO3/c1-8(2)16(10(4)17)13(14(18)19)12-6-5-11(15)7-9(12)3/h5-8,13H,1-4H3,(H,18,19)
InChIKeyRDDKVEITRWMYHD-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.03
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid

2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid (PubChem CID 114075737) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid
PubChem CID114075737
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1ccc(Cl)cc1C
InChIInChI=1S/C14H18ClNO3/c1-8(2)16(10(4)17)13(14(18)19)12-6-5-11(15)7-9(12)3/h5-8,13H,1-4H3,(H,18,19)
InChIKeyRDDKVEITRWMYHD-UHFFFAOYSA-N
XLogP3.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid (CID 114075737) is 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid is CC(=O)N(C(C)C)C(C(=O)O)c1ccc(Cl)cc1C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid?
The InChIKey is RDDKVEITRWMYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-8(2)16(10(4)17)13(14(18)19)12-6-5-11(15)7-9(12)3/h5-8,13H,1-4H3,(H,18,19).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid?
2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid has a molecular weight of 283.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid is sourced from PubChem (CID 114075737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).