2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid

C34H31NO2 — CID 150789413

IUPAC2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid
SMILESNCC1(CC(=O)O)C[C@H](c2cccc3c2Cc2ccccc2-3)[C@@H](c2cccc3c2Cc2ccccc2-3)C1
InChIInChI=1S/C34H31NO2/c35-20-34(19-33(36)37)17-31(27-13-5-11-25-23-9-3-1-7-21(23)15-29(25)27)32(18-34)28-14-6-12-26-24-10-4-2-8-22(24)16-30(26)28/h1-14,31-32H,15-20,35H2,(H,36,37)/t31-,32-/m1/s1
InChIKeyKDNLECNRGSIURP-ROJLCIKYSA-N
MW485.63 g/mol
LogP6.91
Rot. Bonds5

About 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid

2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid (PubChem CID 150789413) has the molecular formula C34H31NO2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid
PubChem CID150789413
Molecular FormulaC34H31NO2
Molecular Weight485.63 g/mol
Exact Mass485.24
IUPAC Name2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid
SMILESNCC1(CC(=O)O)C[C@H](c2cccc3c2Cc2ccccc2-3)[C@@H](c2cccc3c2Cc2ccccc2-3)C1
InChIInChI=1S/C34H31NO2/c35-20-34(19-33(36)37)17-31(27-13-5-11-25-23-9-3-1-7-21(23)15-29(25)27)32(18-34)28-14-6-12-26-24-10-4-2-8-22(24)16-30(26)28/h1-14,31-32H,15-20,35H2,(H,36,37)/t31-,32-/m1/s1
InChIKeyKDNLECNRGSIURP-ROJLCIKYSA-N
XLogP6.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid (CID 150789413) is 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid is NCC1(CC(=O)O)C[C@H](c2cccc3c2Cc2ccccc2-3)[C@@H](c2cccc3c2Cc2ccccc2-3)C1.
What is the InChIKey of 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid?
The InChIKey is KDNLECNRGSIURP-ROJLCIKYSA-N. The full InChI is InChI=1S/C34H31NO2/c35-20-34(19-33(36)37)17-31(27-13-5-11-25-23-9-3-1-7-21(23)15-29(25)27)32(18-34)28-14-6-12-26-24-10-4-2-8-22(24)16-30(26)28/h1-14,31-32H,15-20,35H2,(H,36,37)/t31-,32-/m1/s1.
What are the key properties of 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid?
2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid has a molecular weight of 485.63 g/mol, XLogP of 6.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-1-(aminomethyl)-3,4-bis(9H-fluoren-1-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 150789413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).