2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate

C10H21N3O3 — CID 174598026

IUPAC2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N(C)C.CC(N)C(N)=O
InChIInChI=1S/C7H13NO2.C3H8N2O/c1-5-7(9)10-6(2)8(3)4;1-2(4)3(5)6/h5-6H,1H2,2-4H3;2H,4H2,1H3,(H2,5,6)
InChIKeyDTPRCLDYYVHRQJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.56
Rot. Bonds4

About 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate

2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate (PubChem CID 174598026) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
PubChem CID174598026
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N(C)C.CC(N)C(N)=O
InChIInChI=1S/C7H13NO2.C3H8N2O/c1-5-7(9)10-6(2)8(3)4;1-2(4)3(5)6/h5-6H,1H2,2-4H3;2H,4H2,1H3,(H2,5,6)
InChIKeyDTPRCLDYYVHRQJ-UHFFFAOYSA-N
XLogP-0.56
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)ethyl prop-2-enoate;ethyl hydrogen sulfate
CID 174549517
1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid
CID 174330894
[1-(dimethylamino)-2-ethoxy-2-oxoethyl] prop-2-enoate
CID 174992318
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
CID 87224963
1-aminopropyl prop-2-enoate;2-(dimethylamino)propanoic acid
CID 174713599
(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
CID 87299763
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate
CID 67747543
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
CID 141038512

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate?
The IUPAC name of 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate (CID 174598026) is 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate is C=CC(=O)OC(C)N(C)C.CC(N)C(N)=O.
What is the InChIKey of 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate?
The InChIKey is DTPRCLDYYVHRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H8N2O/c1-5-7(9)10-6(2)8(3)4;1-2(4)3(5)6/h5-6H,1H2,2-4H3;2H,4H2,1H3,(H2,5,6).
What are the key properties of 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate?
2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate has a molecular weight of 231.30 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate is sourced from PubChem (CID 174598026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).