tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate

C16H29NO3 — CID 81003942

IUPACtert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-11(2)14(15(19)20-16(3,4)5)17-13(18)10-12-8-6-7-9-12/h11-12,14H,6-10H2,1-5H3,(H,17,18)/t14-/m1/s1
InChIKeyOIFMVATWCDHMAO-CQSZACIVSA-N
MW283.41 g/mol
LogP3.05
Rot. Bonds5

About tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate

tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate (PubChem CID 81003942) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate
PubChem CID81003942
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-11(2)14(15(19)20-16(3,4)5)17-13(18)10-12-8-6-7-9-12/h11-12,14H,6-10H2,1-5H3,(H,17,18)/t14-/m1/s1
InChIKeyOIFMVATWCDHMAO-CQSZACIVSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
CID 103822364
tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate
CID 80706794
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
tert-butyl (2R)-3-methyl-2-(3-methylsulfanylpropanoylamino)butanoate
CID 81003425
tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate
CID 103775011
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopentylacetyl)amino]propanoyl]amino]-2-phenylacetate
CID 142643331
methyl (2S)-3-methyl-2-[(2-piperidin-3-ylacetyl)amino]butanoate
CID 62675949
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
tert-butyl (2R)-2-[(2-acetamidoacetyl)amino]-3-methylbutanoate
CID 81003713

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate (CID 81003942) is tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate is CC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate?
The InChIKey is OIFMVATWCDHMAO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11(2)14(15(19)20-16(3,4)5)17-13(18)10-12-8-6-7-9-12/h11-12,14H,6-10H2,1-5H3,(H,17,18)/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate?
tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate has a molecular weight of 283.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate is sourced from PubChem (CID 81003942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).