(2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid

C19H25NO7 — CID 51809122

IUPAC(2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)C(=O)O
InChIInChI=1S/C19H25NO7/c1-5-10(2)17(18(24)25)20-15(23)9-26-11-6-12(21)16-13(22)8-19(3,4)27-14(16)7-11/h6-7,10,17,21H,5,8-9H2,1-4H3,(H,20,23)(H,24,25)/t10-,17+/m0/s1
InChIKeyWSWXQLGNHUSJOR-DYZYQPBXSA-N
MW379.41 g/mol
LogP2.13
Rot. Bonds7

About (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid

(2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid (PubChem CID 51809122) has the molecular formula C19H25NO7 and a molecular weight of 379.41 g/mol. Its IUPAC name is (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid
PubChem CID51809122
Molecular FormulaC19H25NO7
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name(2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)C(=O)O
InChIInChI=1S/C19H25NO7/c1-5-10(2)17(18(24)25)20-15(23)9-26-11-6-12(21)16-13(22)8-19(3,4)27-14(16)7-11/h6-7,10,17,21H,5,8-9H2,1-4H3,(H,20,23)(H,24,25)/t10-,17+/m0/s1
InChIKeyWSWXQLGNHUSJOR-DYZYQPBXSA-N
XLogP2.13
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 45369561
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide
CID 122169990
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
CID 8016128
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
CID 110207200
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
CID 98139928
(2S,3R)-2-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
CID 45490663
2-[[2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetyl]amino]-3-methylpentanoic acid
CID 73256672
2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
CID 43239975
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide
CID 78773150
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43238738
(2S,3R)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 6352141
(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61173622

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid (CID 51809122) is (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid is CC[C@H](C)[C@@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)C(=O)O.
What is the InChIKey of (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid?
The InChIKey is WSWXQLGNHUSJOR-DYZYQPBXSA-N. The full InChI is InChI=1S/C19H25NO7/c1-5-10(2)17(18(24)25)20-15(23)9-26-11-6-12(21)16-13(22)8-19(3,4)27-14(16)7-11/h6-7,10,17,21H,5,8-9H2,1-4H3,(H,20,23)(H,24,25)/t10-,17+/m0/s1.
What are the key properties of (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid?
(2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid has a molecular weight of 379.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 51809122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).