4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid

C27H30N2O6 — CID 165446570

IUPAC4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C27H30N2O6/c30-23(28-17-26(24(31)32)11-13-34-14-12-26)15-27(9-10-27)29-25(33)35-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,28,30)(H,29,33)(H,31,32)
InChIKeyQAKYXMIEDUGNOK-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.45
Rot. Bonds8

About 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid

4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 165446570) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID165446570
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C27H30N2O6/c30-23(28-17-26(24(31)32)11-13-34-14-12-26)15-27(9-10-27)29-25(33)35-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,28,30)(H,29,33)(H,31,32)
InChIKeyQAKYXMIEDUGNOK-UHFFFAOYSA-N
XLogP3.45
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
CID 130950344
trans-(1S,2R)-2-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178196733
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid
CID 165479015
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)thian-4-yl]acetic acid
CID 17040197
3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 165494887
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
2-[1-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclopropyl]acetic acid
CID 178195834
(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydroindene-1-carboxylic acid
CID 1268153
1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxymethyl]cyclopropane-1-carboxylic acid
CID 151028370
2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 165488157
1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 165463816
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid (CID 165446570) is 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid is O=C(CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is QAKYXMIEDUGNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c30-23(28-17-26(24(31)32)11-13-34-14-12-26)15-27(9-10-27)29-25(33)35-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,28,30)(H,29,33)(H,31,32).
What are the key properties of 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 165446570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).