(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid

C17H18N2O7 — CID 51808687

IUPAC(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C)C(=O)O)ccc12
InChIInChI=1S/C17H18N2O7/c1-9-5-16(22)26-13-6-11(3-4-12(9)13)25-8-15(21)18-7-14(20)19-10(2)17(23)24/h3-6,10H,7-8H2,1-2H3,(H,18,21)(H,19,20)(H,23,24)/t10-/m1/s1
InChIKeyPAZDWXRCHZQMKK-SNVBAGLBSA-N
MW362.34 g/mol
LogP0.19
Rot. Bonds7

About (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid

(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid (PubChem CID 51808687) has the molecular formula C17H18N2O7 and a molecular weight of 362.34 g/mol. Its IUPAC name is (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
PubChem CID51808687
Molecular FormulaC17H18N2O7
Molecular Weight362.34 g/mol
Exact Mass362.11
IUPAC Name(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C)C(=O)O)ccc12
InChIInChI=1S/C17H18N2O7/c1-9-5-16(22)26-13-6-11(3-4-12(9)13)25-8-15(21)18-7-14(20)19-10(2)17(23)24/h3-6,10H,7-8H2,1-2H3,(H,18,21)(H,19,20)(H,23,24)/t10-/m1/s1
InChIKeyPAZDWXRCHZQMKK-SNVBAGLBSA-N
XLogP0.19
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid with MolForge

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Related Compounds

3-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoylamino]propanoic acid
CID 71950990
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoylamino]-2-phenylacetic acid
CID 73399461
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 4668968
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27448091
3-methyl-2-[[2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
CID 3716329
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid (CID 51808687) is (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid is Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C)C(=O)O)ccc12.
What is the InChIKey of (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is PAZDWXRCHZQMKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N2O7/c1-9-5-16(22)26-13-6-11(3-4-12(9)13)25-8-15(21)18-7-14(20)19-10(2)17(23)24/h3-6,10H,7-8H2,1-2H3,(H,18,21)(H,19,20)(H,23,24)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid?
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 362.34 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 51808687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).