2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid

C8H13NO4 — CID 174779990

IUPAC2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
SMILESC=C(C)C(=O)OC(C)NCC(=O)O
InChIInChI=1S/C8H13NO4/c1-5(2)8(12)13-6(3)9-4-7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11)
InChIKeyPXHQVFQMUQXDAN-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.13
Rot. Bonds5

About 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid

2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid (PubChem CID 174779990) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
PubChem CID174779990
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
SMILESC=C(C)C(=O)OC(C)NCC(=O)O
InChIInChI=1S/C8H13NO4/c1-5(2)8(12)13-6(3)9-4-7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11)
InChIKeyPXHQVFQMUQXDAN-UHFFFAOYSA-N
XLogP0.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(ethenylamino)ethyl 2-methylprop-2-enoate
CID 87899404
1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 140721028
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
butanedioic acid;1-hydroxypropan-2-yl 2-methylprop-2-enoate
CID 174487029
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate
CID 139878668
3-methoxycarbonyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 87140366
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid?
The IUPAC name of 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid (CID 174779990) is 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid is C=C(C)C(=O)OC(C)NCC(=O)O.
What is the InChIKey of 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid?
The InChIKey is PXHQVFQMUQXDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(2)8(12)13-6(3)9-4-7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11).
What are the key properties of 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid?
2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid has a molecular weight of 187.19 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid is sourced from PubChem (CID 174779990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).