2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid

C26H30N2O6 — CID 178192454

IUPAC2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H30N2O6/c29-24(27-11-12-33-16-25(30)31)14-17-9-10-18(13-17)28-26(32)34-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23H,9-16H2,(H,27,29)(H,28,32)(H,30,31)/t17-,18+/m0/s1
InChIKeySMCYGYZCWRGURL-ZWKOTPCHSA-N
MW466.53 g/mol
LogP3.30
Rot. Bonds10

About 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid

2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid (PubChem CID 178192454) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid
PubChem CID178192454
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H30N2O6/c29-24(27-11-12-33-16-25(30)31)14-17-9-10-18(13-17)28-26(32)34-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23H,9-16H2,(H,27,29)(H,28,32)(H,30,31)/t17-,18+/m0/s1
InChIKeySMCYGYZCWRGURL-ZWKOTPCHSA-N
XLogP3.30
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxybutanoic acid
CID 178198507
(2S)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxypropanoic acid
CID 178193478
4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 178193153
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid
CID 178192983
1-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 178191271
(2S)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-methoxypropanoic acid
CID 165460540
2-[(1S,3R)-3-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentyl]acetic acid
CID 178192400
(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
CID 178202412
(2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid
CID 178192394
2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-propylamino]acetic acid
CID 178198227

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid (CID 178192454) is 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid?
The InChIKey is SMCYGYZCWRGURL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C26H30N2O6/c29-24(27-11-12-33-16-25(30)31)14-17-9-10-18(13-17)28-26(32)34-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23H,9-16H2,(H,27,29)(H,28,32)(H,30,31)/t17-,18+/m0/s1.
What are the key properties of 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid has a molecular weight of 466.53 g/mol, XLogP of 3.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 178192454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).