tert-butyl (2S)-2-(propan-2-ylamino)propanoate

C10H21NO2 — CID 15655827

IUPACtert-butyl (2S)-2-(propan-2-ylamino)propanoate
SMILESCC(C)N[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)11-8(3)9(12)13-10(4,5)6/h7-8,11H,1-6H3/t8-/m0/s1
InChIKeyQJDINOZQEIJTII-QMMMGPOBSA-N
MW187.28 g/mol
LogP1.71
Rot. Bonds3

About tert-butyl (2S)-2-(propan-2-ylamino)propanoate

tert-butyl (2S)-2-(propan-2-ylamino)propanoate (PubChem CID 15655827) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(propan-2-ylamino)propanoate
PubChem CID15655827
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl (2S)-2-(propan-2-ylamino)propanoate
SMILESCC(C)N[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)11-8(3)9(12)13-10(4,5)6/h7-8,11H,1-6H3/t8-/m0/s1
InChIKeyQJDINOZQEIJTII-QMMMGPOBSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(propan-2-ylamino)propanoate?
The IUPAC name of tert-butyl (2S)-2-(propan-2-ylamino)propanoate (CID 15655827) is tert-butyl (2S)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for tert-butyl (2S)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for tert-butyl (2S)-2-(propan-2-ylamino)propanoate is CC(C)N[C@@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(propan-2-ylamino)propanoate?
The InChIKey is QJDINOZQEIJTII-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)11-8(3)9(12)13-10(4,5)6/h7-8,11H,1-6H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(propan-2-ylamino)propanoate?
tert-butyl (2S)-2-(propan-2-ylamino)propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 15655827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).