tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate

C16H29NO3 — CID 103822349

IUPACtert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
SMILESC[C@H](NC(=O)CC1CCCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-12(15(19)20-16(2,3)4)17-14(18)11-13-9-7-5-6-8-10-13/h12-13H,5-11H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyDIHJNNJGTGKVSO-LBPRGKRZSA-N
MW283.41 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate

tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate (PubChem CID 103822349) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
PubChem CID103822349
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
SMILESC[C@H](NC(=O)CC1CCCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-12(15(19)20-16(2,3)4)17-14(18)11-13-9-7-5-6-8-10-13/h12-13H,5-11H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyDIHJNNJGTGKVSO-LBPRGKRZSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
CID 103822364
tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate
CID 81003942
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopentylacetyl)amino]propanoyl]amino]-2-phenylacetate
CID 142643331
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
CID 81004154
but-3-enyl (2S)-2-[(2-cyclohexylacetyl)amino]propanoate
CID 95572887
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
CID 17369174
but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 97003915
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate (CID 103822349) is tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate is C[C@H](NC(=O)CC1CCCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate?
The InChIKey is DIHJNNJGTGKVSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(15(19)20-16(2,3)4)17-14(18)11-13-9-7-5-6-8-10-13/h12-13H,5-11H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate?
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate has a molecular weight of 283.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate is sourced from PubChem (CID 103822349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).