ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate

C22H25NO4 — CID 157220460

IUPACethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
SMILESCCOC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-2-26-21(24)13-7-8-14-23-22(25)27-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,2,7-8,13-15H2,1H3,(H,23,25)
InChIKeyUAWHZDLXLAOSSU-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.26
Rot. Bonds8

About ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate

ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate (PubChem CID 157220460) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
PubChem CID157220460
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
SMILESCCOC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-2-26-21(24)13-7-8-14-23-22(25)27-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,2,7-8,13-15H2,1H3,(H,23,25)
InChIKeyUAWHZDLXLAOSSU-UHFFFAOYSA-N
XLogP4.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]acetate
CID 141178701
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
4-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]-4-oxobutanoic acid
CID 70264065
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate
CID 57330497
[4-[(4-methylphenyl)methoxy]phenyl]methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 51341738
(3R)-3-[7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]butanoic acid
CID 165498296
9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate
CID 21053930

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate?
The IUPAC name of ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate (CID 157220460) is ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate?
The canonical SMILES for ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate is CCOC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate?
The InChIKey is UAWHZDLXLAOSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-26-21(24)13-7-8-14-23-22(25)27-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,2,7-8,13-15H2,1H3,(H,23,25).
What are the key properties of ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate?
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate has a molecular weight of 367.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 157220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).