1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid

C27H32N2O5 — CID 165471293

IUPAC1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C27H32N2O5/c1-4-22(24(30)29-15-9-14-27(2,3)23(29)25(31)32)28-26(33)34-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21-23H,4,9,14-16H2,1-3H3,(H,28,33)(H,31,32)/t22-,23?/m1/s1
InChIKeyYGLFMICOLRROIN-WTQRLHSKSA-N
MW464.56 g/mol
LogP4.41
Rot. Bonds6

About 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid

1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid (PubChem CID 165471293) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid
PubChem CID165471293
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C27H32N2O5/c1-4-22(24(30)29-15-9-14-27(2,3)23(29)25(31)32)28-26(33)34-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21-23H,4,9,14-16H2,1-3H3,(H,28,33)(H,31,32)/t22-,23?/m1/s1
InChIKeyYGLFMICOLRROIN-WTQRLHSKSA-N
XLogP4.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,6S)-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 165494730
(2R,3R)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178198407
2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid
CID 165481439
(4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 70658987
(2S)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylic acid
CID 174166262
cis-(1R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
CID 178191934
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
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylcyclohexyl)propanoic acid
CID 165485041
2-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 165445683
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 156691470

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid (CID 165471293) is 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid is CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)C1C(=O)O.
What is the InChIKey of 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid?
The InChIKey is YGLFMICOLRROIN-WTQRLHSKSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-4-22(24(30)29-15-9-14-27(2,3)23(29)25(31)32)28-26(33)34-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21-23H,4,9,14-16H2,1-3H3,(H,28,33)(H,31,32)/t22-,23?/m1/s1.
What are the key properties of 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid?
1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid has a molecular weight of 464.56 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-3,3-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 165471293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).