butyl 2-(prop-2-enylamino)propanoate

C10H19NO2 — CID 19076154

IUPACbutyl 2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)C(=O)OCCCC
InChIInChI=1S/C10H19NO2/c1-4-6-8-13-10(12)9(3)11-7-5-2/h5,9,11H,2,4,6-8H2,1,3H3
InChIKeyKUMDJCIKBKCXRD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds7

About butyl 2-(prop-2-enylamino)propanoate

butyl 2-(prop-2-enylamino)propanoate (PubChem CID 19076154) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is butyl 2-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Namebutyl 2-(prop-2-enylamino)propanoate
PubChem CID19076154
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namebutyl 2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)C(=O)OCCCC
InChIInChI=1S/C10H19NO2/c1-4-6-8-13-10(12)9(3)11-7-5-2/h5,9,11H,2,4,6-8H2,1,3H3
InChIKeyKUMDJCIKBKCXRD-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-2-Propen-1-ylglycine ethyl ester
CID 10975597
methyl (2S)-3-methyl-2-(prop-2-enylamino)butanoate
CID 10313308
(1-Methoxy-1-oxopent-4-en-2-yl)-prop-2-enylazanium chloride
CID 135077915
methyl (2R)-3-methyl-2-(prop-2-enylamino)butanoate
CID 21636726
2-Methyl-N-(2-propenyl)alanine methyl ester
CID 12096492
Ethyl 2-(prop-2-enylamino)propanoate
CID 13326681
ethyl 2-[[(E)-but-2-enyl]amino]acetate
CID 13326685
Ethyl 2-(prop-2-enylamino)butanoate
CID 16723930
Butyl 1,2,3,6-tetrahydropyridine-2-carboxylate
CID 17984864
Ethyl 2-Acetamido-2-vinylacetate
CID 19029215
Methyl 2-allylaminopropionate
CID 19076105
Butyl 2-(prop-2-enylamino)acetate
CID 19076148

Frequently Asked Questions

What is the IUPAC name of butyl 2-(prop-2-enylamino)propanoate?
The IUPAC name of butyl 2-(prop-2-enylamino)propanoate (CID 19076154) is butyl 2-(prop-2-enylamino)propanoate.
What is the SMILES notation for butyl 2-(prop-2-enylamino)propanoate?
The canonical SMILES for butyl 2-(prop-2-enylamino)propanoate is C=CCNC(C)C(=O)OCCCC.
What is the InChIKey of butyl 2-(prop-2-enylamino)propanoate?
The InChIKey is KUMDJCIKBKCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-8-13-10(12)9(3)11-7-5-2/h5,9,11H,2,4,6-8H2,1,3H3.
What are the key properties of butyl 2-(prop-2-enylamino)propanoate?
butyl 2-(prop-2-enylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(prop-2-enylamino)propanoate is sourced from PubChem (CID 19076154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).