4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid

C25H29N3O5 — CID 170161592

IUPAC4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid
SMILESCNC(=O)[C@@H](CC1CCN(C(=O)O)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H29N3O5/c1-26-23(29)22(14-16-10-12-28(13-11-16)25(31)32)27-24(30)33-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21-22H,10-15H2,1H3,(H,26,29)(H,27,30)(H,31,32)/t22-/m1/s1
InChIKeyAZGKZRXOAOAWSJ-JOCHJYFZSA-N
MW451.52 g/mol
LogP3.42
Rot. Bonds6

About 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid

4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid (PubChem CID 170161592) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid
PubChem CID170161592
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid
SMILESCNC(=O)[C@@H](CC1CCN(C(=O)O)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H29N3O5/c1-26-23(29)22(14-16-10-12-28(13-11-16)25(31)32)27-24(30)33-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21-22H,10-15H2,1H3,(H,26,29)(H,27,30)(H,31,32)/t22-/m1/s1
InChIKeyAZGKZRXOAOAWSJ-JOCHJYFZSA-N
XLogP3.42
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 58868035
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-phenylpiperidin-4-yl)propanoic acid
CID 177277546
(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 154706549
acetic acid;3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131675536
cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 122539263
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2-oxo-2-prop-2-enoxyethyl)piperidin-4-yl]propanoic acid
CID 177277827
[4-[[[(2S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]methyl]phenyl]carbamic acid
CID 146417926
3-(3,3-dimethylcyclobutyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 122240317
9H-fluoren-9-ylmethyl N-[(2S)-3-cyclohexyl-1-[[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
CID 10842200
(2S)-3-(4,4-difluorocyclohexyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 146013652
(2S)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylic acid
CID 174166262
ethane;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxobutan-2-yl]carbamate;oxolane
CID 159284718

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid (CID 170161592) is 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid is CNC(=O)[C@@H](CC1CCN(C(=O)O)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid?
The InChIKey is AZGKZRXOAOAWSJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-26-23(29)22(14-16-10-12-28(13-11-16)25(31)32)27-24(30)33-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21-22H,10-15H2,1H3,(H,26,29)(H,27,30)(H,31,32)/t22-/m1/s1.
What are the key properties of 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid?
4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid has a molecular weight of 451.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 170161592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).