butan-2-yl 2-amino-2-cyclopropylpropanoate

C10H19NO2 — CID 60904237

IUPACbutan-2-yl 2-amino-2-cyclopropylpropanoate
SMILESCCC(C)OC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H19NO2/c1-4-7(2)13-9(12)10(3,11)8-5-6-8/h7-8H,4-6,11H2,1-3H3
InChIKeySATUDQAJSDQSCB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds4

About butan-2-yl 2-amino-2-cyclopropylpropanoate

butan-2-yl 2-amino-2-cyclopropylpropanoate (PubChem CID 60904237) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is butan-2-yl 2-amino-2-cyclopropylpropanoate.

Molecular Properties

Compound Namebutan-2-yl 2-amino-2-cyclopropylpropanoate
PubChem CID60904237
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namebutan-2-yl 2-amino-2-cyclopropylpropanoate
SMILESCCC(C)OC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H19NO2/c1-4-7(2)13-9(12)10(3,11)8-5-6-8/h7-8H,4-6,11H2,1-3H3
InChIKeySATUDQAJSDQSCB-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-methylpropyl 2-amino-2-cyclopropylpropanoate
CID 61277456
2-amino-2-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
CID 61463878
tert-butyl 2-amino-2-cyclopropylpropanoate
CID 18379175
dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989360
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
2-amino-2-cyclopropyl-6-methylheptan-3-one
CID 116558377
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
CID 166505189
2-amino-2-cyclopropyl-N-methyl-N-(2-methylbutyl)propanamide
CID 60867524
2-amino-2-cyclopropyl-N-(2-methylbutyl)propanamide
CID 62694160
2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
CID 63843687
butan-2-yl 2-bromo-2,2-difluoroacetate
CID 87123357

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-amino-2-cyclopropylpropanoate?
The IUPAC name of butan-2-yl 2-amino-2-cyclopropylpropanoate (CID 60904237) is butan-2-yl 2-amino-2-cyclopropylpropanoate.
What is the SMILES notation for butan-2-yl 2-amino-2-cyclopropylpropanoate?
The canonical SMILES for butan-2-yl 2-amino-2-cyclopropylpropanoate is CCC(C)OC(=O)C(C)(N)C1CC1.
What is the InChIKey of butan-2-yl 2-amino-2-cyclopropylpropanoate?
The InChIKey is SATUDQAJSDQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7(2)13-9(12)10(3,11)8-5-6-8/h7-8H,4-6,11H2,1-3H3.
What are the key properties of butan-2-yl 2-amino-2-cyclopropylpropanoate?
butan-2-yl 2-amino-2-cyclopropylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-amino-2-cyclopropylpropanoate is sourced from PubChem (CID 60904237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).