(2R)-2-acetamido-2-cyclobutylacetic acid

C8H13NO3 — CID 91654951

IUPAC(2R)-2-acetamido-2-cyclobutylacetic acid
SMILESCC(=O)N[C@@H](C(=O)O)C1CCC1
InChIInChI=1S/C8H13NO3/c1-5(10)9-7(8(11)12)6-3-2-4-6/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyGHJOZNKMMRLGJT-SSDOTTSWSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds3

About (2R)-2-acetamido-2-cyclobutylacetic acid

(2R)-2-acetamido-2-cyclobutylacetic acid (PubChem CID 91654951) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2R)-2-acetamido-2-cyclobutylacetic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-2-cyclobutylacetic acid
PubChem CID91654951
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2R)-2-acetamido-2-cyclobutylacetic acid
SMILESCC(=O)N[C@@H](C(=O)O)C1CCC1
InChIInChI=1S/C8H13NO3/c1-5(10)9-7(8(11)12)6-3-2-4-6/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyGHJOZNKMMRLGJT-SSDOTTSWSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286
(2R)-2-acetamido-2-[4-(diaminomethylideneamino)cyclohexyl]acetic acid
CID 22840786
(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
CID 94491136
N-(1-cyclobutylethyl)acetamide
CID 115769098
N-(1-cyclopropyl-3-methyl-2-oxobutyl)acetamide
CID 76825713
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)but-3-enoyl]amino]acetic acid
CID 143306447
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
1-cyclobutyl-1-(methylamino)propan-2-one
CID 116955955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2-cyclobutylacetic acid?
The IUPAC name of (2R)-2-acetamido-2-cyclobutylacetic acid (CID 91654951) is (2R)-2-acetamido-2-cyclobutylacetic acid.
What is the SMILES notation for (2R)-2-acetamido-2-cyclobutylacetic acid?
The canonical SMILES for (2R)-2-acetamido-2-cyclobutylacetic acid is CC(=O)N[C@@H](C(=O)O)C1CCC1.
What is the InChIKey of (2R)-2-acetamido-2-cyclobutylacetic acid?
The InChIKey is GHJOZNKMMRLGJT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)9-7(8(11)12)6-3-2-4-6/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-acetamido-2-cyclobutylacetic acid?
(2R)-2-acetamido-2-cyclobutylacetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2-cyclobutylacetic acid is sourced from PubChem (CID 91654951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).