2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid

C26H30N2O5 — CID 165481439

IUPAC2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid
SMILESCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CC(=O)O
InChIInChI=1S/C26H30N2O5/c1-2-8-23(25(31)28-14-7-9-17(28)15-24(29)30)27-26(32)33-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22/h3-6,10-13,17,22-23H,2,7-9,14-16H2,1H3,(H,27,32)(H,29,30)/t17-,23?/m1/s1
InChIKeyNSCNTMIWTHCIMB-LIXIDFRTSA-N
MW450.54 g/mol
LogP4.16
Rot. Bonds8

About 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid

2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 165481439) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid
PubChem CID165481439
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid
SMILESCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CC(=O)O
InChIInChI=1S/C26H30N2O5/c1-2-8-23(25(31)28-14-7-9-17(28)15-24(29)30)27-26(32)33-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22/h3-6,10-13,17,22-23H,2,7-9,14-16H2,1H3,(H,27,32)(H,29,30)/t17-,23?/m1/s1
InChIKeyNSCNTMIWTHCIMB-LIXIDFRTSA-N
XLogP4.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178198407
(2S)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylic acid
CID 174166262
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
CID 178191626
(2R,3R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178192167
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid
CID 178196111
(1R,6S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 178198417
(1S,6R)-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 178193858
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(3R,4R)-1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 178191337
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 156691470
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid
CID 165485648
2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]pyrrolidin-2-yl]acetic acid
CID 178195426

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid (CID 165481439) is 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid is CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is NSCNTMIWTHCIMB-LIXIDFRTSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-2-8-23(25(31)28-14-7-9-17(28)15-24(29)30)27-26(32)33-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22/h3-6,10-13,17,22-23H,2,7-9,14-16H2,1H3,(H,27,32)(H,29,30)/t17-,23?/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid?
2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 450.54 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 165481439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).