(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid

C19H22N2O5 — CID 120695237

IUPAC(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1occc1-c1ccccc1)C(=O)O
InChIInChI=1S/C19H22N2O5/c1-12(2)10-15(19(24)25)21-16(22)11-20-18(23)17-14(8-9-26-17)13-6-4-3-5-7-13/h3-9,12,15H,10-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t15-/m0/s1
InChIKeyUMCIHCSKAHQUKZ-HNNXBMFYSA-N
MW358.39 g/mol
LogP2.29
Rot. Bonds8

About (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120695237) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
PubChem CID120695237
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1occc1-c1ccccc1)C(=O)O
InChIInChI=1S/C19H22N2O5/c1-12(2)10-15(19(24)25)21-16(22)11-20-18(23)17-14(8-9-26-17)13-6-4-3-5-7-13/h3-9,12,15H,10-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t15-/m0/s1
InChIKeyUMCIHCSKAHQUKZ-HNNXBMFYSA-N
XLogP2.29
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610
(2S)-4-methyl-2-[[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120694342
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850
(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695141
(2S)-2-[[2-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694592
N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide
CID 47012609

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid (CID 120695237) is (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)CNC(=O)c1occc1-c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is UMCIHCSKAHQUKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(2)10-15(19(24)25)21-16(22)11-20-18(23)17-14(8-9-26-17)13-6-4-3-5-7-13/h3-9,12,15H,10-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 358.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120695237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).