disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate

C23H32N2Na2O6 — CID 140503784

IUPACdisodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate
SMILESCCC[C@H](CC1(C(=O)N[C@@H](COCc2ccc(C)cn2)CC(=O)[O-])CCCC1)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C23H34N2O6.2Na/c1-3-6-17(21(28)29)12-23(9-4-5-10-23)22(30)25-19(11-20(26)27)15-31-14-18-8-7-16(2)13-24-18;;/h7-8,13,17,19H,3-6,9-12,14-15H2,1-2H3,(H,25,30)(H,26,27)(H,28,29);;/q;2*+1/p-2/t17-,19-;;/m1../s1
InChIKeyNUEVPTULLDGFJY-WGMYLSDTSA-L
MW478.50 g/mol
LogP-5.34
Rot. Bonds13

About disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate

disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate (PubChem CID 140503784) has the molecular formula C23H32N2Na2O6 and a molecular weight of 478.50 g/mol. Its IUPAC name is disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate.

Molecular Properties

Compound Namedisodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate
PubChem CID140503784
Molecular FormulaC23H32N2Na2O6
Molecular Weight478.50 g/mol
Exact Mass478.21
IUPAC Namedisodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate
SMILESCCC[C@H](CC1(C(=O)N[C@@H](COCc2ccc(C)cn2)CC(=O)[O-])CCCC1)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C23H34N2O6.2Na/c1-3-6-17(21(28)29)12-23(9-4-5-10-23)22(30)25-19(11-20(26)27)15-31-14-18-8-7-16(2)13-24-18;;/h7-8,13,17,19H,3-6,9-12,14-15H2,1-2H3,(H,25,30)(H,26,27)(H,28,29);;/q;2*+1/p-2/t17-,19-;;/m1../s1
InChIKeyNUEVPTULLDGFJY-WGMYLSDTSA-L
XLogP-5.34
TPSA131.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 5-5.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate?
The IUPAC name of disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate (CID 140503784) is disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate.
What is the SMILES notation for disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate?
The canonical SMILES for disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate is CCC[C@H](CC1(C(=O)N[C@@H](COCc2ccc(C)cn2)CC(=O)[O-])CCCC1)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate?
The InChIKey is NUEVPTULLDGFJY-WGMYLSDTSA-L. The full InChI is InChI=1S/C23H34N2O6.2Na/c1-3-6-17(21(28)29)12-23(9-4-5-10-23)22(30)25-19(11-20(26)27)15-31-14-18-8-7-16(2)13-24-18;;/h7-8,13,17,19H,3-6,9-12,14-15H2,1-2H3,(H,25,30)(H,26,27)(H,28,29);;/q;2*+1/p-2/t17-,19-;;/m1../s1.
What are the key properties of disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate?
disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate has a molecular weight of 478.50 g/mol, XLogP of -5.34, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2R)-2-[[1-[[(2R)-1-carboxylato-3-[(5-methyl-2-pyridinyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoate is sourced from PubChem (CID 140503784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).