(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid

C12H15BrN2O5 — CID 107564357

IUPAC(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)O
InChIInChI=1S/C12H15BrN2O5/c1-2-3-7(12(18)19)15-10(16)6-14-11(17)8-4-5-9(13)20-8/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m0/s1
InChIKeySDRCPARYDDLITA-ZETCQYMHSA-N
MW347.17 g/mol
LogP1.14
Rot. Bonds7

About (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid

(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 107564357) has the molecular formula C12H15BrN2O5 and a molecular weight of 347.17 g/mol. Its IUPAC name is (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
PubChem CID107564357
Molecular FormulaC12H15BrN2O5
Molecular Weight347.17 g/mol
Exact Mass346.02
IUPAC Name(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)O
InChIInChI=1S/C12H15BrN2O5/c1-2-3-7(12(18)19)15-10(16)6-14-11(17)8-4-5-9(13)20-8/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m0/s1
InChIKeySDRCPARYDDLITA-ZETCQYMHSA-N
XLogP1.14
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563658
methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 43406149
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]hexanoic acid
CID 120614545
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
(2S)-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563778
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120534617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid (CID 107564357) is (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid is CCC[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is SDRCPARYDDLITA-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15BrN2O5/c1-2-3-7(12(18)19)15-10(16)6-14-11(17)8-4-5-9(13)20-8/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid?
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 347.17 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 107564357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).