[(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate

C26H32N2O5 — CID 173235018

IUPAC[(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate
SMILESCCCC(OC=O)C(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H32N2O5/c1-2-9-24(33-17-29)25(30)23(14-7-8-15-27)28-26(31)32-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22/h3-6,10-13,17,22-24H,2,7-9,14-16,27H2,1H3,(H,28,31)/t23-,24?/m0/s1
InChIKeyZGCNIRQCNCSBKX-UXMRNZNESA-N
MW452.55 g/mol
LogP3.93
Rot. Bonds13

About [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate

[(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate (PubChem CID 173235018) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate.

Molecular Properties

Compound Name[(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate
PubChem CID173235018
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name[(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate
SMILESCCCC(OC=O)C(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H32N2O5/c1-2-9-24(33-17-29)25(30)23(14-7-8-15-27)28-26(31)32-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22/h3-6,10-13,17,22-24H,2,7-9,14-16,27H2,1H3,(H,28,31)/t23-,24?/m0/s1
InChIKeyZGCNIRQCNCSBKX-UXMRNZNESA-N
XLogP3.93
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
CID 124582995
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
dichloromethane;9H-fluoren-9-ylmethyl N-[(3S)-7-amino-2-oxoheptan-3-yl]carbamate;9H-fluoren-9-ylmethyl propanoate
CID 157155298
9H-fluoren-9-ylmethyl N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 118912877
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 138502561
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxohexan-2-yl]carbamate
CID 176902963
9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-[4-(aminomethyl)anilino]-1-oxohexan-2-yl]carbamate
CID 86610151
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994

Frequently Asked Questions

What is the IUPAC name of [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate?
The IUPAC name of [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate (CID 173235018) is [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate.
What is the SMILES notation for [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate?
The canonical SMILES for [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate is CCCC(OC=O)C(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate?
The InChIKey is ZGCNIRQCNCSBKX-UXMRNZNESA-N. The full InChI is InChI=1S/C26H32N2O5/c1-2-9-24(33-17-29)25(30)23(14-7-8-15-27)28-26(31)32-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22/h3-6,10-13,17,22-24H,2,7-9,14-16,27H2,1H3,(H,28,31)/t23-,24?/m0/s1.
What are the key properties of [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate?
[(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate has a molecular weight of 452.55 g/mol, XLogP of 3.93, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate is sourced from PubChem (CID 173235018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).