propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate

C11H21NO2 — CID 173220639

IUPACpropan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate
SMILESCCC(C(=O)OC(C)C)=C(N)C(C)C
InChIInChI=1S/C11H21NO2/c1-6-9(10(12)7(2)3)11(13)14-8(4)5/h7-8H,6,12H2,1-5H3
InChIKeyDRSZBRILYUDGJW-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.22
Rot. Bonds4

About propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate

propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate (PubChem CID 173220639) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate.

Molecular Properties

Compound Namepropan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate
PubChem CID173220639
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate
SMILESCCC(C(=O)OC(C)C)=C(N)C(C)C
InChIInChI=1S/C11H21NO2/c1-6-9(10(12)7(2)3)11(13)14-8(4)5/h7-8H,6,12H2,1-5H3
InChIKeyDRSZBRILYUDGJW-UHFFFAOYSA-N
XLogP2.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-2,4-dimethylpent-2-enoate
CID 175523894
ethyl 3-amino-2-chloro-4-methylpent-2-enoate
CID 86749531
azane;propan-2-yl carbamate
CID 172769477
propan-2-yl 3-chloro-2-oxopropanoate
CID 45120097
propan-2-one;propan-2-yl propanoate
CID 161266557
dipropan-2-yl 4-methyl-2,6-dioxoheptanedioate
CID 90416995
ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate
CID 174274435
1-O-propan-2-yl 3-O-propyl 2-oxopropanedioate
CID 54225091
bis(3-methylbutyl) (Z)-2,3-diethylbut-2-enedioate
CID 174863157
propane;propan-2-yl acetate
CID 23325886
(Z)-3-ethyl-1,1,1-trifluoro-4-propan-2-yloxypent-3-en-2-one
CID 123845088
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate?
The IUPAC name of propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate (CID 173220639) is propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate.
What is the SMILES notation for propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate?
The canonical SMILES for propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate is CCC(C(=O)OC(C)C)=C(N)C(C)C.
What is the InChIKey of propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate?
The InChIKey is DRSZBRILYUDGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-9(10(12)7(2)3)11(13)14-8(4)5/h7-8H,6,12H2,1-5H3.
What are the key properties of propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate?
propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-amino-2-ethyl-4-methylpent-2-enoate is sourced from PubChem (CID 173220639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).