2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine

C21H26N2O5 — CID 91143180

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine
SMILESCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CNOC
InChIInChI=1S/C19H19NO4.C2H7NO/c1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-3-4-2/h3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22);3H,1-2H3
InChIKeyBEFKKUWXPLOECP-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.16
Rot. Bonds6

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine

2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine (PubChem CID 91143180) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine
PubChem CID91143180
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine
SMILESCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CNOC
InChIInChI=1S/C19H19NO4.C2H7NO/c1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-3-4-2/h3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22);3H,1-2H3
InChIKeyBEFKKUWXPLOECP-UHFFFAOYSA-N
XLogP3.16
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-(4-oxohexan-3-yl)carbamate;methanamine
CID 160943823
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid
CID 165479235
ethane;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxobutan-2-yl]carbamate;oxolane
CID 159284718
(2S)-5-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
CID 171702819
azane;deuterio(iodo)methane;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-1-amino-1-oxobutan-2-yl]carbamate;hydrate
CID 158182567
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxy-4-oxopentanoic acid
CID 107507017
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-4-hydroxybutanoic acid
CID 165483755
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine (CID 91143180) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine is CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CNOC.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine?
The InChIKey is BEFKKUWXPLOECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4.C2H7NO/c1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-3-4-2/h3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22);3H,1-2H3.
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine?
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine has a molecular weight of 386.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine is sourced from PubChem (CID 91143180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).