3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid

C19H19NO4 — CID 174897078

IUPAC3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H19NO4/c1-12(9-18(21)22)20-19(23)24-11-14-6-4-8-16-15-7-3-2-5-13(15)10-17(14)16/h2-8,12H,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyKNDCNRQTKYQPML-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.35
Rot. Bonds5

About 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid

3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid (PubChem CID 174897078) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
PubChem CID174897078
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H19NO4/c1-12(9-18(21)22)20-19(23)24-11-14-6-4-8-16-15-7-3-2-5-13(15)10-17(14)16/h2-8,12H,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyKNDCNRQTKYQPML-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
CID 155412566
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 175252148
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 87881323
2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 174881683
ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate
CID 175450580
4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid
CID 67426893
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
(2S,3S)-2-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-3-methylpentanoic acid
CID 139831866
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid
CID 175143885

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid?
The IUPAC name of 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid (CID 174897078) is 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid?
The InChIKey is KNDCNRQTKYQPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(9-18(21)22)20-19(23)24-11-14-6-4-8-16-15-7-3-2-5-13(15)10-17(14)16/h2-8,12H,9-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid?
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 174897078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).