(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid

C10H12BrNO4 — CID 106851080

IUPAC(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccoc1Br)C(=O)O
InChIInChI=1S/C10H12BrNO4/c1-5(2)7(10(14)15)12-9(13)6-3-4-16-8(6)11/h3-5,7H,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyNPFZEMAWBCYXQO-SSDOTTSWSA-N
MW290.11 g/mol
LogP1.88
Rot. Bonds4

About (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 106851080) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID106851080
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccoc1Br)C(=O)O
InChIInChI=1S/C10H12BrNO4/c1-5(2)7(10(14)15)12-9(13)6-3-4-16-8(6)11/h3-5,7H,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyNPFZEMAWBCYXQO-SSDOTTSWSA-N
XLogP1.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106683293
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
(2S)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid
CID 106851140
(2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid
CID 106851139
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107981488
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
(2S)-2-[(5-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 119360100
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
CID 106854363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid (CID 106851080) is (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1ccoc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is NPFZEMAWBCYXQO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-5(2)7(10(14)15)12-9(13)6-3-4-16-8(6)11/h3-5,7H,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 290.11 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 106851080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).