2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid

C10H17NO4 — CID 79263335

IUPAC2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)OCC(C)C
InChIInChI=1S/C10H17NO4/c1-4-5-11(6-9(12)13)10(14)15-7-8(2)3/h4,8H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyHNBWTRHAFDYTQL-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.35
Rot. Bonds6

About 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid

2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid (PubChem CID 79263335) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
PubChem CID79263335
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)OCC(C)C
InChIInChI=1S/C10H17NO4/c1-4-5-11(6-9(12)13)10(14)15-7-8(2)3/h4,8H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyHNBWTRHAFDYTQL-UHFFFAOYSA-N
XLogP1.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276797
2-[[(2S)-2,4-dimethylpentyl]-prop-2-enoxycarbonylamino]acetic acid
CID 122415386
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
CID 79263608
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
CID 79261884
2-[[methyl(3-methylbutyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276789
2-[[2-(carbamoylamino)-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263277
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
CID 79265150
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid (CID 79263335) is 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)OCC(C)C.
What is the InChIKey of 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid?
The InChIKey is HNBWTRHAFDYTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-5-11(6-9(12)13)10(14)15-7-8(2)3/h4,8H,1,5-7H2,2-3H3,(H,12,13).
What are the key properties of 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid?
2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79263335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).