2-cyclopropylethyl 2-amino-4-methoxybutanoate

C10H19NO3 — CID 106202740

IUPAC2-cyclopropylethyl 2-amino-4-methoxybutanoate
SMILESCOCCC(N)C(=O)OCCC1CC1
InChIInChI=1S/C10H19NO3/c1-13-6-5-9(11)10(12)14-7-4-8-2-3-8/h8-9H,2-7,11H2,1H3
InChIKeyUNWDFKSLRYEEGG-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds7

About 2-cyclopropylethyl 2-amino-4-methoxybutanoate

2-cyclopropylethyl 2-amino-4-methoxybutanoate (PubChem CID 106202740) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-cyclopropylethyl 2-amino-4-methoxybutanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 2-amino-4-methoxybutanoate
PubChem CID106202740
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-cyclopropylethyl 2-amino-4-methoxybutanoate
SMILESCOCCC(N)C(=O)OCCC1CC1
InChIInChI=1S/C10H19NO3/c1-13-6-5-9(11)10(12)14-7-4-8-2-3-8/h8-9H,2-7,11H2,1H3
InChIKeyUNWDFKSLRYEEGG-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
2-cyclopropylethyl 2-aminobutanoate
CID 106202655
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
hexyl 2-amino-4-methoxybutanoate
CID 62478651
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
CID 106202505
2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
CID 106204429
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
calcium bis(2-amino-4-methoxybutanoate)
CID 23618824
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 2-amino-4-methoxybutanoate?
The IUPAC name of 2-cyclopropylethyl 2-amino-4-methoxybutanoate (CID 106202740) is 2-cyclopropylethyl 2-amino-4-methoxybutanoate.
What is the SMILES notation for 2-cyclopropylethyl 2-amino-4-methoxybutanoate?
The canonical SMILES for 2-cyclopropylethyl 2-amino-4-methoxybutanoate is COCCC(N)C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2-amino-4-methoxybutanoate?
The InChIKey is UNWDFKSLRYEEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-6-5-9(11)10(12)14-7-4-8-2-3-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-cyclopropylethyl 2-amino-4-methoxybutanoate?
2-cyclopropylethyl 2-amino-4-methoxybutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2-amino-4-methoxybutanoate is sourced from PubChem (CID 106202740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).