2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid

C34H37N3O5 — CID 165458399

IUPAC2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CCN(Cc3ccccc3)C2)CCCC1
InChIInChI=1S/C34H37N3O5/c38-30(39)20-33(16-8-9-17-33)35-31(40)34(18-19-37(23-34)21-24-10-2-1-3-11-24)36-32(41)42-22-29-27-14-6-4-12-25(27)26-13-5-7-15-28(26)29/h1-7,10-15,29H,8-9,16-23H2,(H,35,40)(H,36,41)(H,38,39)
InChIKeyLYRFCGNCPZWXLG-UHFFFAOYSA-N
MW567.69 g/mol
LogP5.07
Rot. Bonds9

About 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid

2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid (PubChem CID 165458399) has the molecular formula C34H37N3O5 and a molecular weight of 567.69 g/mol. Its IUPAC name is 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
PubChem CID165458399
Molecular FormulaC34H37N3O5
Molecular Weight567.69 g/mol
Exact Mass567.27
IUPAC Name2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CCN(Cc3ccccc3)C2)CCCC1
InChIInChI=1S/C34H37N3O5/c38-30(39)20-33(16-8-9-17-33)35-31(40)34(18-19-37(23-34)21-24-10-2-1-3-11-24)36-32(41)42-22-29-27-14-6-4-12-25(27)26-13-5-7-15-28(26)29/h1-7,10-15,29H,8-9,16-23H2,(H,35,40)(H,36,41)(H,38,39)
InChIKeyLYRFCGNCPZWXLG-UHFFFAOYSA-N
XLogP5.07
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid with MolForge

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Related Compounds

(3R,4R)-1-[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 178193229
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)thian-4-yl]acetic acid
CID 17040197
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 162684955
2-[1-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]cyclopropyl]acetic acid
CID 178196369
2-[1-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclopropyl]acetic acid
CID 178195834
2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid
CID 165459469
2-[4-[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]-1,4-diazepan-1-yl]acetic acid
CID 165446516
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
1-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylic acid
CID 22145281
cis-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 178191921
2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 165485531

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid (CID 165458399) is 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CCN(Cc3ccccc3)C2)CCCC1.
What is the InChIKey of 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid?
The InChIKey is LYRFCGNCPZWXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O5/c38-30(39)20-33(16-8-9-17-33)35-31(40)34(18-19-37(23-34)21-24-10-2-1-3-11-24)36-32(41)42-22-29-27-14-6-4-12-25(27)26-13-5-7-15-28(26)29/h1-7,10-15,29H,8-9,16-23H2,(H,35,40)(H,36,41)(H,38,39).
What are the key properties of 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid?
2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid has a molecular weight of 567.69 g/mol, XLogP of 5.07, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 165458399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).