tert-butyl (2S)-2-amino-3-cyclopropylpropanoate

C10H19NO2 — CID 12018345

IUPACtert-butyl (2S)-2-amino-3-cyclopropylpropanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8(11)6-7-4-5-7/h7-8H,4-6,11H2,1-3H3/t8-/m0/s1
InChIKeyRCKUJSHNLSHNJR-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds3

About tert-butyl (2S)-2-amino-3-cyclopropylpropanoate

tert-butyl (2S)-2-amino-3-cyclopropylpropanoate (PubChem CID 12018345) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-3-cyclopropylpropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-3-cyclopropylpropanoate
PubChem CID12018345
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl (2S)-2-amino-3-cyclopropylpropanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8(11)6-7-4-5-7/h7-8H,4-6,11H2,1-3H3/t8-/m0/s1
InChIKeyRCKUJSHNLSHNJR-QMMMGPOBSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
tert-butyl (2S)-2-amino-3-(4,4-dimethylcyclohexyl)propanoate
CID 126559741
tert-butyl 2-amino-3-piperidin-3-ylpropanoate
CID 57429451
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
(3S)-3-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 90086761
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate
CID 57198840
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate
CID 104749788
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
2-amino-3-cyclopropylpropanoic acid
CID 519178
tert-butyl 4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylate
CID 67861069

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-3-cyclopropylpropanoate?
The IUPAC name of tert-butyl (2S)-2-amino-3-cyclopropylpropanoate (CID 12018345) is tert-butyl (2S)-2-amino-3-cyclopropylpropanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-3-cyclopropylpropanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-3-cyclopropylpropanoate is CC(C)(C)OC(=O)[C@@H](N)CC1CC1.
What is the InChIKey of tert-butyl (2S)-2-amino-3-cyclopropylpropanoate?
The InChIKey is RCKUJSHNLSHNJR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8(11)6-7-4-5-7/h7-8H,4-6,11H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-3-cyclopropylpropanoate?
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 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-amino-3-cyclopropylpropanoate is sourced from PubChem (CID 12018345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).