(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid

C19H19NO4 — CID 70076002

IUPAC(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid
SMILESCOC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](C)CC(=O)O
InChIInChI=1S/C19H19NO4/c1-12(11-17(21)22)20(19(23)24-2)18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,12,18H,11H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyOEMJFERKSYUMGC-GFCCVEGCSA-N
MW325.36 g/mol
LogP3.69
Rot. Bonds4

About (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid

(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid (PubChem CID 70076002) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid
PubChem CID70076002
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid
SMILESCOC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](C)CC(=O)O
InChIInChI=1S/C19H19NO4/c1-12(11-17(21)22)20(19(23)24-2)18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,12,18H,11H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyOEMJFERKSYUMGC-GFCCVEGCSA-N
XLogP3.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9H-fluoren-9-yl(methoxycarbonyl)amino]-4-phenylbutanoic acid
CID 53394977
3-[9H-fluoren-9-yl(methoxycarbonyl)amino]-4-(furan-2-yl)butanoic acid
CID 69135813
(3S)-5-(N-benzhydrylanilino)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]-5-oxopentanoic acid
CID 44593788
3-(diethoxyphosphorylmethoxy)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]propanoic acid
CID 87693964
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 99909243
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid
CID 138544790
(2R)-3-(1-benzothiophen-3-yl)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]propanoic acid
CID 68886027
(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid
CID 141108437
2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid
CID 76853877
(2S)-5-amino-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]pentanoic acid;2,2,2-trifluoroacetic acid
CID 69014238
(2R)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-(4-nitrophenyl)acetic acid
CID 99909238
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid?
The IUPAC name of (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid (CID 70076002) is (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid.
What is the SMILES notation for (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid?
The canonical SMILES for (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid is COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](C)CC(=O)O.
What is the InChIKey of (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid?
The InChIKey is OEMJFERKSYUMGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(11-17(21)22)20(19(23)24-2)18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,12,18H,11H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid?
(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid is sourced from PubChem (CID 70076002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).