(2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

C24H21ClN2O4 — CID 172894294

IUPAC(2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILESO=C(N[C@H](CCc1cnccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21ClN2O4/c25-21-11-12-26-13-15(21)9-10-22(23(28)29)27-24(30)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,11-13,20,22H,9-10,14H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKeyAXWDSAPRKXIOEK-JOCHJYFZSA-N
MW436.90 g/mol
LogP4.66
Rot. Bonds7

About (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

(2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (PubChem CID 172894294) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
PubChem CID172894294
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name(2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILESO=C(N[C@H](CCc1cnccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21ClN2O4/c25-21-11-12-26-13-15(21)9-10-22(23(28)29)27-24(30)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,11-13,20,22H,9-10,14H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKeyAXWDSAPRKXIOEK-JOCHJYFZSA-N
XLogP4.66
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-methyl-3-pyridinyl)butanoic acid
CID 172894276
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methoxy-4-pyridinyl)butanoic acid
CID 171702895
3-(4-amino-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882113
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 154725469
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(5-methyl-3-pyridinyl)butanoic acid
CID 172894277
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 155885837
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(S)-methylsulfinyl]butanoic acid
CID 11902909
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfinylbutanoic acid
CID 7408215
(2S)-4-(2-azidophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 172529393
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butanoic acid
CID 146471732
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5,5-trifluoropentanoic acid
CID 22849769

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The IUPAC name of (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (CID 172894294) is (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid is O=C(N[C@H](CCc1cnccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The InChIKey is AXWDSAPRKXIOEK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c25-21-11-12-26-13-15(21)9-10-22(23(28)29)27-24(30)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,11-13,20,22H,9-10,14H2,(H,27,30)(H,28,29)/t22-/m1/s1.
What are the key properties of (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
(2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid has a molecular weight of 436.90 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-chloro-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 172894294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).