cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C26H26N4O5 — CID 178198926

IUPACcis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1ncc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N4O5/c1-30-23(21(13-27-30)24(31)28-16-11-10-15(12-16)25(32)33)29-26(34)35-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-9,13,15-16,22H,10-12,14H2,1H3,(H,28,31)(H,29,34)(H,32,33)/t15-,16+/m1/s1
InChIKeyORLYBINWSBGBHX-CVEARBPZSA-N
MW474.52 g/mol
LogP3.76
Rot. Bonds6

About cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 178198926) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID178198926
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Namecis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1ncc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N4O5/c1-30-23(21(13-27-30)24(31)28-16-11-10-15(12-16)25(32)33)29-26(34)35-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-9,13,15-16,22H,10-12,14H2,1H3,(H,28,31)(H,29,34)(H,32,33)/t15-,16+/m1/s1
InChIKeyORLYBINWSBGBHX-CVEARBPZSA-N
XLogP3.76
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178192441
5-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylic acid
CID 178195420
cis-(1S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178198326
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
cis-(1R,3S)-3-[[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 178192418
2-[(3S,4S)-1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178198303
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178191853
4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524602
cis-(1S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3,3,3-trifluoropropanoyl]amino]cyclopentane-1-carboxylic acid
CID 178192890
3-aminocyclohexane-1-carboxylic acid;3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 70071243
trans-(1R,3R)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165446007

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 178198926) is cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is Cn1ncc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ORLYBINWSBGBHX-CVEARBPZSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-30-23(21(13-27-30)24(31)28-16-11-10-15(12-16)25(32)33)29-26(34)35-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-9,13,15-16,22H,10-12,14H2,1H3,(H,28,31)(H,29,34)(H,32,33)/t15-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 474.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178198926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).