2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid

C14H21NO2 — CID 62414694

IUPAC2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid
SMILESCCc1ccccc1C(NC(C)CC)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-10(3)15-13(14(16)17)12-9-7-6-8-11(12)5-2/h6-10,13,15H,4-5H2,1-3H3,(H,16,17)
InChIKeySFUYAZDUDDLIIP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds6

About 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid

2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid (PubChem CID 62414694) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid
PubChem CID62414694
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid
SMILESCCc1ccccc1C(NC(C)CC)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-10(3)15-13(14(16)17)12-9-7-6-8-11(12)5-2/h6-10,13,15H,4-5H2,1-3H3,(H,16,17)
InChIKeySFUYAZDUDDLIIP-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54908281
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
2-(benzylamino)-2-(2-ethylphenyl)acetic acid
CID 62416657
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid
CID 54977951
2-(butan-2-ylamino)-2-(2-methoxyphenyl)acetamide
CID 54907954
ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate
CID 61026398
2-(butan-2-ylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843756
2-(2-ethylphenyl)-2-fluoroacetic acid
CID 105425429
2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044779
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81383449
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
2-(5-bromoquinolin-8-yl)-2-(butan-2-ylamino)acetic acid
CID 115959642

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid (CID 62414694) is 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid is CCc1ccccc1C(NC(C)CC)C(=O)O.
What is the InChIKey of 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid?
The InChIKey is SFUYAZDUDDLIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10(3)15-13(14(16)17)12-9-7-6-8-11(12)5-2/h6-10,13,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid?
2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid is sourced from PubChem (CID 62414694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).