(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid

C19H19NO5 — CID 15449971

IUPAC(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO5/c21-10-9-17(18(22)23)20-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17,21H,9-11H2,(H,20,24)(H,22,23)/t17-/m0/s1
InChIKeyYFCXLWRCVZSPCF-KRWDZBQOSA-N
MW341.36 g/mol
LogP2.36
Rot. Bonds6

About (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid (PubChem CID 15449971) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid
PubChem CID15449971
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO5/c21-10-9-17(18(22)23)20-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17,21H,9-11H2,(H,20,24)(H,22,23)/t17-/m0/s1
InChIKeyYFCXLWRCVZSPCF-KRWDZBQOSA-N
XLogP2.36
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Fmoc-leucine
CID 1549133
(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid
CID 1549477
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine
CID 4308
6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valine
CID 100115
FMOC-L-valine
CID 688217
N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanine
CID 6364642
Fmoc-Lys(Boc)-OH
CID 2724628
N-(9H-(2,7-Dimethylfluoren-9-ylmethoxy)carbonyl)leucine
CID 119365
(2R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid
CID 978332
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylbutanoic acid
CID 3296415
N-Fluorenylmethoxycarbonyl-I2-alanine
CID 2724630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid (CID 15449971) is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid is O=C(N[C@@H](CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid?
The InChIKey is YFCXLWRCVZSPCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO5/c21-10-9-17(18(22)23)20-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17,21H,9-11H2,(H,20,24)(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid?
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid has a molecular weight of 341.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 15449971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).