methyl 2-amino-4-(2-cyclopropylethoxy)butanoate

C10H19NO3 — CID 106204239

IUPACmethyl 2-amino-4-(2-cyclopropylethoxy)butanoate
SMILESCOC(=O)C(N)CCOCCC1CC1
InChIInChI=1S/C10H19NO3/c1-13-10(12)9(11)5-7-14-6-4-8-2-3-8/h8-9H,2-7,11H2,1H3
InChIKeyLDGNZFDMECJRGP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds7

About methyl 2-amino-4-(2-cyclopropylethoxy)butanoate

methyl 2-amino-4-(2-cyclopropylethoxy)butanoate (PubChem CID 106204239) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-amino-4-(2-cyclopropylethoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-cyclopropylethoxy)butanoate
PubChem CID106204239
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-amino-4-(2-cyclopropylethoxy)butanoate
SMILESCOC(=O)C(N)CCOCCC1CC1
InChIInChI=1S/C10H19NO3/c1-13-10(12)9(11)5-7-14-6-4-8-2-3-8/h8-9H,2-7,11H2,1H3
InChIKeyLDGNZFDMECJRGP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropylethyl 2-amino-4-methoxybutanoate
CID 106202740
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
CID 106204341
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
methyl 2-amino-4-heptoxybutanoate
CID 63039834
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
methyl (2R)-2-amino-4-(oxan-4-yl)butanoate
CID 27282389
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
CID 106204429
methyl 2-amino-4-(cyclopropylmethoxymethylsulfanyl)butanoate
CID 106929682

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-cyclopropylethoxy)butanoate?
The IUPAC name of methyl 2-amino-4-(2-cyclopropylethoxy)butanoate (CID 106204239) is methyl 2-amino-4-(2-cyclopropylethoxy)butanoate.
What is the SMILES notation for methyl 2-amino-4-(2-cyclopropylethoxy)butanoate?
The canonical SMILES for methyl 2-amino-4-(2-cyclopropylethoxy)butanoate is COC(=O)C(N)CCOCCC1CC1.
What is the InChIKey of methyl 2-amino-4-(2-cyclopropylethoxy)butanoate?
The InChIKey is LDGNZFDMECJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-10(12)9(11)5-7-14-6-4-8-2-3-8/h8-9H,2-7,11H2,1H3.
What are the key properties of methyl 2-amino-4-(2-cyclopropylethoxy)butanoate?
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate 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 methyl 2-amino-4-(2-cyclopropylethoxy)butanoate is sourced from PubChem (CID 106204239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).