(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C23H32FNO6 — CID 58633481

IUPAC(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCC[C@H](CC1(C(=O)N[C@@H](COCc2ccc(F)cc2)CC(=O)O)CCCC1)C(=O)O
InChIInChI=1S/C23H32FNO6/c1-2-5-17(21(28)29)13-23(10-3-4-11-23)22(30)25-19(12-20(26)27)15-31-14-16-6-8-18(24)9-7-16/h6-9,17,19H,2-5,10-15H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t17-,19-/m1/s1
InChIKeyKPUWEEIPUKPTIV-IEBWSBKVSA-N
MW437.51 g/mol
LogP3.75
Rot. Bonds13

About (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 58633481) has the molecular formula C23H32FNO6 and a molecular weight of 437.51 g/mol. Its IUPAC name is (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID58633481
Molecular FormulaC23H32FNO6
Molecular Weight437.51 g/mol
Exact Mass437.22
IUPAC Name(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCC[C@H](CC1(C(=O)N[C@@H](COCc2ccc(F)cc2)CC(=O)O)CCCC1)C(=O)O
InChIInChI=1S/C23H32FNO6/c1-2-5-17(21(28)29)13-23(10-3-4-11-23)22(30)25-19(12-20(26)27)15-31-14-16-6-8-18(24)9-7-16/h6-9,17,19H,2-5,10-15H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t17-,19-/m1/s1
InChIKeyKPUWEEIPUKPTIV-IEBWSBKVSA-N
XLogP3.75
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 58633481) is (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCC[C@H](CC1(C(=O)N[C@@H](COCc2ccc(F)cc2)CC(=O)O)CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is KPUWEEIPUKPTIV-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H32FNO6/c1-2-5-17(21(28)29)13-23(10-3-4-11-23)22(30)25-19(12-20(26)27)15-31-14-16-6-8-18(24)9-7-16/h6-9,17,19H,2-5,10-15H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t17-,19-/m1/s1.
What are the key properties of (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 437.51 g/mol, XLogP of 3.75, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 58633481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).