(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid

C14H19NO5S — CID 106931658

IUPAC(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
SMILESCC(C)(C)OC(=O)CC[C@@H](NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C14H19NO5S/c1-14(2,3)20-11(16)7-6-9(13(18)19)15-12(17)10-5-4-8-21-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyKXUITGQMWHPIJP-SECBINFHSA-N
MW313.38 g/mol
LogP2.05
Rot. Bonds6

About (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid

(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid (PubChem CID 106931658) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
PubChem CID106931658
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
SMILESCC(C)(C)OC(=O)CC[C@@H](NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C14H19NO5S/c1-14(2,3)20-11(16)7-6-9(13(18)19)15-12(17)10-5-4-8-21-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyKXUITGQMWHPIJP-SECBINFHSA-N
XLogP2.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid with MolForge

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Related Compounds

(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid
CID 45142211
4-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]benzoic acid
CID 10884038
(2S)-2-[(5-benzhydrylthiophene-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 174603013
(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid
CID 71402009
2-[(4-methoxy-4-oxobutanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58996824
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786809
(2S)-5-methoxy-5-oxo-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoic acid
CID 107820470
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid (CID 106931658) is (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid is CC(C)(C)OC(=O)CC[C@@H](NC(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid?
The InChIKey is KXUITGQMWHPIJP-SECBINFHSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-14(2,3)20-11(16)7-6-9(13(18)19)15-12(17)10-5-4-8-21-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid?
(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid has a molecular weight of 313.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 106931658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).