3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid

C24H35F3N4O4 — CID 23630371

IUPAC3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)(C)O)C1)C(=O)O
InChIInChI=1S/C24H35F3N4O4/c1-21(2,20(33)34)15-29-17-5-7-23(14-17,22(3,4)35)19(32)31-11-9-30(10-12-31)18-13-16(6-8-28-18)24(25,26)27/h6,8,13,17,29,35H,5,7,9-12,14-15H2,1-4H3,(H,33,34)/t17-,23-/m1/s1
InChIKeyRUTYXRCPIPPVIT-UZUQRXQVSA-N
MW500.56 g/mol
LogP2.76
Rot. Bonds7

About 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid

3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 23630371) has the molecular formula C24H35F3N4O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid
PubChem CID23630371
Molecular FormulaC24H35F3N4O4
Molecular Weight500.56 g/mol
Exact Mass500.26
IUPAC Name3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)(C)O)C1)C(=O)O
InChIInChI=1S/C24H35F3N4O4/c1-21(2,20(33)34)15-29-17-5-7-23(14-17,22(3,4)35)19(32)31-11-9-30(10-12-31)18-13-16(6-8-28-18)24(25,26)27/h6,8,13,17,29,35H,5,7,9-12,14-15H2,1-4H3,(H,33,34)/t17-,23-/m1/s1
InChIKeyRUTYXRCPIPPVIT-UZUQRXQVSA-N
XLogP2.76
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid (CID 23630371) is 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CN[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)(C)O)C1)C(=O)O.
What is the InChIKey of 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is RUTYXRCPIPPVIT-UZUQRXQVSA-N. The full InChI is InChI=1S/C24H35F3N4O4/c1-21(2,20(33)34)15-29-17-5-7-23(14-17,22(3,4)35)19(32)31-11-9-30(10-12-31)18-13-16(6-8-28-18)24(25,26)27/h6,8,13,17,29,35H,5,7,9-12,14-15H2,1-4H3,(H,33,34)/t17-,23-/m1/s1.
What are the key properties of 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid?
3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 500.56 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,3S)-3-(2-hydroxypropan-2-yl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 23630371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).