2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid

C11H15NO4 — CID 60832013

IUPAC2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1occc1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H15NO4/c1-7(2)12(6-10(13)14)11(15)9-4-5-16-8(9)3/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyZSJIJWSZKYFEJD-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.52
Rot. Bonds4

About 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid

2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60832013) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID60832013
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1occc1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H15NO4/c1-7(2)12(6-10(13)14)11(15)9-4-5-16-8(9)3/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyZSJIJWSZKYFEJD-UHFFFAOYSA-N
XLogP1.52
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120518349
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
2-[(2-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 62514429
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
N-(2-aminopropyl)-N,2-dimethylfuran-3-carboxamide
CID 63755935
N-(2-bromoethyl)-2-methyl-N-pentan-3-ylfuran-3-carboxamide
CID 80670864
methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
CID 106853479
2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid
CID 120518391
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702
2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid
CID 63118087

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid (CID 60832013) is 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid is Cc1occc1C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is ZSJIJWSZKYFEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(2)12(6-10(13)14)11(15)9-4-5-16-8(9)3/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid?
2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).