2-(9H-xanthene-9-carbonylamino)pentanoic acid

C19H19NO4 — CID 120534631

IUPAC2-(9H-xanthene-9-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)C1c2ccccc2Oc2ccccc21)C(=O)O
InChIInChI=1S/C19H19NO4/c1-2-7-14(19(22)23)20-18(21)17-12-8-3-5-10-15(12)24-16-11-6-4-9-13(16)17/h3-6,8-11,14,17H,2,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyGLMHXSDLXJEVRK-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.29
Rot. Bonds5

About 2-(9H-xanthene-9-carbonylamino)pentanoic acid

2-(9H-xanthene-9-carbonylamino)pentanoic acid (PubChem CID 120534631) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(9H-xanthene-9-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(9H-xanthene-9-carbonylamino)pentanoic acid
PubChem CID120534631
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-(9H-xanthene-9-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)C1c2ccccc2Oc2ccccc21)C(=O)O
InChIInChI=1S/C19H19NO4/c1-2-7-14(19(22)23)20-18(21)17-12-8-3-5-10-15(12)24-16-11-6-4-9-13(16)17/h3-6,8-11,14,17H,2,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyGLMHXSDLXJEVRK-UHFFFAOYSA-N
XLogP3.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
3-methyl-4-(9H-xanthene-9-carbonylamino)butanoic acid
CID 120537025
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626
(2S)-2-(1,2,3,4-tetrahydroisoquinoline-1-carbonylamino)pentanoic acid
CID 107565087
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
(2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869739
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
2-(9H-fluoren-9-ylamino)pentanoic acid
CID 65054645
N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 742969
N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide
CID 71787480

Frequently Asked Questions

What is the IUPAC name of 2-(9H-xanthene-9-carbonylamino)pentanoic acid?
The IUPAC name of 2-(9H-xanthene-9-carbonylamino)pentanoic acid (CID 120534631) is 2-(9H-xanthene-9-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(9H-xanthene-9-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(9H-xanthene-9-carbonylamino)pentanoic acid is CCCC(NC(=O)C1c2ccccc2Oc2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-xanthene-9-carbonylamino)pentanoic acid?
The InChIKey is GLMHXSDLXJEVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-7-14(19(22)23)20-18(21)17-12-8-3-5-10-15(12)24-16-11-6-4-9-13(16)17/h3-6,8-11,14,17H,2,7H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(9H-xanthene-9-carbonylamino)pentanoic acid?
2-(9H-xanthene-9-carbonylamino)pentanoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-xanthene-9-carbonylamino)pentanoic acid is sourced from PubChem (CID 120534631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).