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

C10H12BrNO4 — CID 120518349

IUPAC2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1occc1Br
InChIInChI=1S/C10H12BrNO4/c1-6(2)12(5-8(13)14)10(15)9-7(11)3-4-16-9/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyOLKUQKCIEBKCSC-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.98
Rot. Bonds4

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

2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 120518349) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID120518349
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1occc1Br
InChIInChI=1S/C10H12BrNO4/c1-6(2)12(5-8(13)14)10(15)9-7(11)3-4-16-9/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyOLKUQKCIEBKCSC-UHFFFAOYSA-N
XLogP1.98
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832013
2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid
CID 106889510
2-[(4-bromo-3-hydroxybenzoyl)-propan-2-ylamino]acetic acid
CID 114103223
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide
CID 119659763
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetic acid
CID 115909768
2-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107627218
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 54893003
2-(3-bromofuran-2-yl)-2-oxoacetic acid
CID 130951949
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831048
N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 61038775

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid (CID 120518349) is 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1occc1Br.
What is the InChIKey of 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is OLKUQKCIEBKCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-6(2)12(5-8(13)14)10(15)9-7(11)3-4-16-9/h3-4,6H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid?
2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 290.11 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120518349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).