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

C11H19NO3 — CID 79265150

IUPAC2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(CC)CC
InChIInChI=1S/C11H19NO3/c1-4-7-12(8-10(13)14)11(15)9(5-2)6-3/h4,9H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyMSKFKOCXXFNMJA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.52
Rot. Bonds7

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

2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid (PubChem CID 79265150) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
PubChem CID79265150
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(CC)CC
InChIInChI=1S/C11H19NO3/c1-4-7-12(8-10(13)14)11(15)9(5-2)6-3/h4,9H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyMSKFKOCXXFNMJA-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
CID 107570062
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2-[pentan-3-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276869
2-[[2-(carbamoylamino)-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263277
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
CID 79263608
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
2-[(2-amino-4-methylsulfonylbutanoyl)-prop-2-enylamino]acetic acid
CID 79264585
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
CID 116678360
sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid (CID 79265150) is 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)C(CC)CC.
What is the InChIKey of 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is MSKFKOCXXFNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-7-12(8-10(13)14)11(15)9(5-2)6-3/h4,9H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid?
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79265150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).