[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid

C13H17ClN2O3 — CID 69109296

IUPAC[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid
SMILESCC(C)(C)NC(=O)C(NC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)16-11(17)10(15-12(18)19)8-5-4-6-9(14)7-8/h4-7,10,15H,1-3H3,(H,16,17)(H,18,19)
InChIKeyGWPXFNUVJGELAU-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.56
Rot. Bonds3

About [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid

[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid (PubChem CID 69109296) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid
PubChem CID69109296
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid
SMILESCC(C)(C)NC(=O)C(NC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)16-11(17)10(15-12(18)19)8-5-4-6-9(14)7-8/h4-7,10,15H,1-3H3,(H,16,17)(H,18,19)
InChIKeyGWPXFNUVJGELAU-UHFFFAOYSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 90341642
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8767844
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
CID 71254796
1-(3-chlorophenyl)prop-2-enylcarbamic acid
CID 89405869
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323
(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
CID 119943058
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid (CID 69109296) is [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid is CC(C)(C)NC(=O)C(NC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid?
The InChIKey is GWPXFNUVJGELAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2,3)16-11(17)10(15-12(18)19)8-5-4-6-9(14)7-8/h4-7,10,15H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid?
[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid has a molecular weight of 284.74 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 69109296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).