2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid

C23H26N2O4 — CID 165476394

IUPAC2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C23H26N2O4/c26-22(27)14-25-11-5-6-16(13-25)12-24-23(28)29-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,11-15H2,(H,24,28)(H,26,27)
InChIKeyOOCUYEAJEQECMM-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.32
Rot. Bonds6

About 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid

2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid (PubChem CID 165476394) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid
PubChem CID165476394
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C23H26N2O4/c26-22(27)14-25-11-5-6-16(13-25)12-24-23(28)29-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,11-15H2,(H,24,28)(H,26,27)
InChIKeyOOCUYEAJEQECMM-UHFFFAOYSA-N
XLogP3.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 96554065
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
CID 4712604
2-[4,7,10-tris[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118103272
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118103274
9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
CID 171951173
benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
CID 96553888
sodium 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylate
CID 69129851
2-[4-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]piperazin-1-yl]acetic acid
CID 165459164
1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 178192335
2-[(2R)-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]pyrrolidin-2-yl]acetic acid
CID 178191195
2-[4-[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]-1,4-diazepan-1-yl]acetic acid
CID 165446516
2-[(3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid
CID 102425521

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid (CID 165476394) is 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid?
The InChIKey is OOCUYEAJEQECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-22(27)14-25-11-5-6-16(13-25)12-24-23(28)29-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,11-15H2,(H,24,28)(H,26,27).
What are the key properties of 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid?
2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid has a molecular weight of 394.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 165476394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).