(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid

C7H8Cl3NO3 — CID 101214790

IUPAC(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid
SMILESO=C(O)[C@@H](NC(=O)C(Cl)(Cl)Cl)C1CC1
InChIInChI=1S/C7H8Cl3NO3/c8-7(9,10)6(14)11-4(5(12)13)3-1-2-3/h3-4H,1-2H2,(H,11,14)(H,12,13)/t4-/m0/s1
InChIKeyBJDGZEDIXMJWAJ-BYPYZUCNSA-N
MW260.50 g/mol
LogP1.34
Rot. Bonds3

About (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid

(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid (PubChem CID 101214790) has the molecular formula C7H8Cl3NO3 and a molecular weight of 260.50 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid
PubChem CID101214790
Molecular FormulaC7H8Cl3NO3
Molecular Weight260.50 g/mol
Exact Mass258.96
IUPAC Name(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid
SMILESO=C(O)[C@@H](NC(=O)C(Cl)(Cl)Cl)C1CC1
InChIInChI=1S/C7H8Cl3NO3/c8-7(9,10)6(14)11-4(5(12)13)3-1-2-3/h3-4H,1-2H2,(H,11,14)(H,12,13)/t4-/m0/s1
InChIKeyBJDGZEDIXMJWAJ-BYPYZUCNSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.50
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696214
2-cyclopropyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83198884
2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid
CID 62695953
2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696206
2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid
CID 79805005
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
CID 146194288
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
CID 64895375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid?
The IUPAC name of (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid (CID 101214790) is (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid?
The canonical SMILES for (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid is O=C(O)[C@@H](NC(=O)C(Cl)(Cl)Cl)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid?
The InChIKey is BJDGZEDIXMJWAJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8Cl3NO3/c8-7(9,10)6(14)11-4(5(12)13)3-1-2-3/h3-4H,1-2H2,(H,11,14)(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid?
(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid has a molecular weight of 260.50 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid is sourced from PubChem (CID 101214790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).