3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid

C19H17NO5 — CID 23220870

IUPAC3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H17NO5/c21-17(22)8-9-20-18(23)19(24)25-11-13-5-3-7-15-14-6-2-1-4-12(14)10-16(13)15/h1-7H,8-11H2,(H,20,23)(H,21,22)
InChIKeyWYNVSZACUZQUTQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.89
Rot. Bonds5

About 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid

3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid (PubChem CID 23220870) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
PubChem CID23220870
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H17NO5/c21-17(22)8-9-20-18(23)19(24)25-11-13-5-3-7-15-14-6-2-1-4-12(14)10-16(13)15/h1-7H,8-11H2,(H,20,23)(H,21,22)
InChIKeyWYNVSZACUZQUTQ-UHFFFAOYSA-N
XLogP1.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid
CID 67426893
2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid
CID 174973010
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
CID 70186299
2-(9H-fluoren-1-yl)acetamide
CID 22939017
9H-fluoren-1-ylmethyl N-[[4-oxo-4-[6-(tritylamino)hexylamino]butanoyl]amino]carbamate
CID 118437586
(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
CID 155412566
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid (CID 23220870) is 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid is O=C(O)CCNC(=O)C(=O)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid?
The InChIKey is WYNVSZACUZQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-17(22)8-9-20-18(23)19(24)25-11-13-5-3-7-15-14-6-2-1-4-12(14)10-16(13)15/h1-7H,8-11H2,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid?
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid has a molecular weight of 339.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid is sourced from PubChem (CID 23220870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).