tert-butyl 2-amino-2-cyclopropylpropanoate

C10H19NO2 — CID 18379175

IUPACtert-butyl 2-amino-2-cyclopropylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(4,11)7-5-6-7/h7H,5-6,11H2,1-4H3
InChIKeyZWPCVIYFHBKDJH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds2

About tert-butyl 2-amino-2-cyclopropylpropanoate

tert-butyl 2-amino-2-cyclopropylpropanoate (PubChem CID 18379175) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl 2-amino-2-cyclopropylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-cyclopropylpropanoate
PubChem CID18379175
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl 2-amino-2-cyclopropylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(4,11)7-5-6-7/h7H,5-6,11H2,1-4H3
InChIKeyZWPCVIYFHBKDJH-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze tert-butyl 2-amino-2-cyclopropylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
tert-butyl 2,2-diamino-2-cyclohexylacetate
CID 70137368
2-methylpropyl 2-amino-2-cyclopropylpropanoate
CID 61277456
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
butan-2-yl 2-amino-2-cyclopropylpropanoate
CID 60904237
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 123134609
(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175307569
2-amino-2-cyclopropylhex-5-yn-3-one
CID 116558356
(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
CID 67723227
2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride
CID 70289577

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-cyclopropylpropanoate?
The IUPAC name of tert-butyl 2-amino-2-cyclopropylpropanoate (CID 18379175) is tert-butyl 2-amino-2-cyclopropylpropanoate.
What is the SMILES notation for tert-butyl 2-amino-2-cyclopropylpropanoate?
The canonical SMILES for tert-butyl 2-amino-2-cyclopropylpropanoate is CC(C)(C)OC(=O)C(C)(N)C1CC1.
What is the InChIKey of tert-butyl 2-amino-2-cyclopropylpropanoate?
The InChIKey is ZWPCVIYFHBKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(4,11)7-5-6-7/h7H,5-6,11H2,1-4H3.
What are the key properties of tert-butyl 2-amino-2-cyclopropylpropanoate?
tert-butyl 2-amino-2-cyclopropylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-cyclopropylpropanoate is sourced from PubChem (CID 18379175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).