2-cyclopropylethyl 2-aminobutanoate

C9H17NO2 — CID 106202655

IUPAC2-cyclopropylethyl 2-aminobutanoate
SMILESCCC(N)C(=O)OCCC1CC1
InChIInChI=1S/C9H17NO2/c1-2-8(10)9(11)12-6-5-7-3-4-7/h7-8H,2-6,10H2,1H3
InChIKeyHWFXPLLCDKDRHK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds5

About 2-cyclopropylethyl 2-aminobutanoate

2-cyclopropylethyl 2-aminobutanoate (PubChem CID 106202655) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-cyclopropylethyl 2-aminobutanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 2-aminobutanoate
PubChem CID106202655
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-cyclopropylethyl 2-aminobutanoate
SMILESCCC(N)C(=O)OCCC1CC1
InChIInChI=1S/C9H17NO2/c1-2-8(10)9(11)12-6-5-7-3-4-7/h7-8H,2-6,10H2,1H3
InChIKeyHWFXPLLCDKDRHK-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
CID 106202505
2-cyclopropylethyl 2-amino-4-methoxybutanoate
CID 106202740
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
CID 106204429
cyclopentylmethyl 2-aminobutanoate
CID 66322645
2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 106202712
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
4-amino-1-cyclopropyl-5-methylheptan-3-one
CID 116552846
2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate
CID 106202639
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 2-aminobutanoate?
The IUPAC name of 2-cyclopropylethyl 2-aminobutanoate (CID 106202655) is 2-cyclopropylethyl 2-aminobutanoate.
What is the SMILES notation for 2-cyclopropylethyl 2-aminobutanoate?
The canonical SMILES for 2-cyclopropylethyl 2-aminobutanoate is CCC(N)C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2-aminobutanoate?
The InChIKey is HWFXPLLCDKDRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-8(10)9(11)12-6-5-7-3-4-7/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-cyclopropylethyl 2-aminobutanoate?
2-cyclopropylethyl 2-aminobutanoate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2-aminobutanoate is sourced from PubChem (CID 106202655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).