2-(tert-butylamino)-2-chloroacetic acid

C6H12ClNO2 — CID 142800381

IUPAC2-(tert-butylamino)-2-chloroacetic acid
SMILESCC(C)(C)NC(Cl)C(=O)O
InChIInChI=1S/C6H12ClNO2/c1-6(2,3)8-4(7)5(9)10/h4,8H,1-3H3,(H,9,10)
InChIKeySOZDDSVMQFIXIM-UHFFFAOYSA-N
MW165.62 g/mol
LogP1.02
Rot. Bonds2

About 2-(tert-butylamino)-2-chloroacetic acid

2-(tert-butylamino)-2-chloroacetic acid (PubChem CID 142800381) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-chloroacetic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-2-chloroacetic acid
PubChem CID142800381
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-(tert-butylamino)-2-chloroacetic acid
SMILESCC(C)(C)NC(Cl)C(=O)O
InChIInChI=1S/C6H12ClNO2/c1-6(2,3)8-4(7)5(9)10/h4,8H,1-3H3,(H,9,10)
InChIKeySOZDDSVMQFIXIM-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
(2S,7S)-2,7-bis(tert-butylamino)-3,6-dioxooctanedioic acid
CID 140995726
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125
2-(tert-butylamino)-4-hydroxybutanoic acid
CID 83695715
1-(tert-butylamino)-2-chloropropan-1-ol
CID 88799444
(2S)-2-(tert-butylamino)propanamide
CID 122595245
2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
CID 82238205
2-(tert-butylamino)-4-methylpentan-3-one
CID 134376563
2-(tert-butylamino)-3-(4-chlorophenyl)propanoic acid
CID 59385300
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 65265565
N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine
CID 84669079
alumane;2-chloropropanoic acid
CID 173230355

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-chloroacetic acid?
The IUPAC name of 2-(tert-butylamino)-2-chloroacetic acid (CID 142800381) is 2-(tert-butylamino)-2-chloroacetic acid.
What is the SMILES notation for 2-(tert-butylamino)-2-chloroacetic acid?
The canonical SMILES for 2-(tert-butylamino)-2-chloroacetic acid is CC(C)(C)NC(Cl)C(=O)O.
What is the InChIKey of 2-(tert-butylamino)-2-chloroacetic acid?
The InChIKey is SOZDDSVMQFIXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-6(2,3)8-4(7)5(9)10/h4,8H,1-3H3,(H,9,10).
What are the key properties of 2-(tert-butylamino)-2-chloroacetic acid?
2-(tert-butylamino)-2-chloroacetic acid has a molecular weight of 165.62 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-chloroacetic acid is sourced from PubChem (CID 142800381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).