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

C10H14BrNO3 — CID 106889510

IUPAC2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1occc1Br
InChIInChI=1S/C10H14BrNO3/c1-7(2)12(6-10(13)14)5-9-8(11)3-4-15-9/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyHAIRDNVPWKVFHV-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.34
Rot. Bonds5

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

2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid (PubChem CID 106889510) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid
PubChem CID106889510
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1occc1Br
InChIInChI=1S/C10H14BrNO3/c1-7(2)12(6-10(13)14)5-9-8(11)3-4-15-9/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyHAIRDNVPWKVFHV-UHFFFAOYSA-N
XLogP2.34
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromofuran-2-yl)methyl-methylamino]acetic acid
CID 106889491
2-[(3-bromofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120518349
2-[(2-bromo-4-fluorophenyl)methyl-propan-2-ylamino]acetic acid
CID 60838444
2-[(3-bromo-4-chlorophenyl)methyl-propan-2-ylamino]acetic acid
CID 83240855
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014
2-[N-[(3-bromofuran-2-yl)methyl]-3-chloroanilino]acetic acid
CID 106889515
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 82951427
2-amino-3-(3-bromofuran-2-yl)propanoic acid
CID 106885892
2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid
CID 66568739
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838636
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60839651
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 65057140

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid (CID 106889510) is 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)Cc1occc1Br.
What is the InChIKey of 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is HAIRDNVPWKVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-7(2)12(6-10(13)14)5-9-8(11)3-4-15-9/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid?
2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 276.13 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 106889510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).