(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid

C25H28N2O5 — CID 178192127

IUPAC(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C25H28N2O5/c1-15(12-23(28)29)26-24(30)16-10-11-17(13-16)27-25(31)32-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,15-17,22H,10-14H2,1H3,(H,26,30)(H,27,31)(H,28,29)/t15-,16+,17-/m1/s1
InChIKeyQLEBOMLBEUFEPX-IXDOHACOSA-N
MW436.51 g/mol
LogP3.67
Rot. Bonds7

About (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid

(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid (PubChem CID 178192127) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
PubChem CID178192127
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C25H28N2O5/c1-15(12-23(28)29)26-24(30)16-10-11-17(13-16)27-25(31)32-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,15-17,22H,10-14H2,1H3,(H,26,30)(H,27,31)(H,28,29)/t15-,16+,17-/m1/s1
InChIKeyQLEBOMLBEUFEPX-IXDOHACOSA-N
XLogP3.67
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-3-methylpentanoic acid
CID 178191178
2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-4-methylhexanoic acid
CID 178192100
(2S)-2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 178195460
3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-2-methylbutanoic acid
CID 178191957
3-[[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]methyl]pentanoic acid
CID 178193936
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
3-[2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]ethoxy]propanoic acid
CID 178192983
2-(cyclopropylmethyl)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]propanoic acid
CID 178192101
5-[[(1R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 165447210
3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid
CID 165478912
2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-4-methoxy-4-methylpentanoic acid
CID 165461257
cis-(1R,3S)-3-[[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 178192418

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid?
The IUPAC name of (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid (CID 178192127) is (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid.
What is the SMILES notation for (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid?
The canonical SMILES for (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid is C[C@H](CC(=O)O)NC(=O)[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid?
The InChIKey is QLEBOMLBEUFEPX-IXDOHACOSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-15(12-23(28)29)26-24(30)16-10-11-17(13-16)27-25(31)32-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,15-17,22H,10-14H2,1H3,(H,26,30)(H,27,31)(H,28,29)/t15-,16+,17-/m1/s1.
What are the key properties of (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid?
(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid has a molecular weight of 436.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 178192127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).