potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate

C32H39KN4O7 — CID 68668333

IUPACpotassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCOCc1cc(C)c(NC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1.[K+]
InChIInChI=1S/C32H40N4O7.K/c1-18-13-21(17-41-7)14-19(2)27(18)36-31(40)34-25-15-22(23-10-12-26(42-8)33-16-23)9-11-24(25)29(37)35-28(30(38)39)20(3)43-32(4,5)6;/h9-16,20,28H,17H2,1-8H3,(H,35,37)(H,38,39)(H2,34,36,40);/q;+1/p-1/t20-,28+;/m1./s1
InChIKeyHJIATIOGXBREPZ-GBDMDELXSA-M
MW630.78 g/mol
LogP1.22
Rot. Bonds11

About potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate

potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 68668333) has the molecular formula C32H39KN4O7 and a molecular weight of 630.78 g/mol. Its IUPAC name is potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Namepotassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID68668333
Molecular FormulaC32H39KN4O7
Molecular Weight630.78 g/mol
Exact Mass630.25
IUPAC Namepotassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCOCc1cc(C)c(NC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1.[K+]
InChIInChI=1S/C32H40N4O7.K/c1-18-13-21(17-41-7)14-19(2)27(18)36-31(40)34-25-15-22(23-10-12-26(42-8)33-16-23)9-11-24(25)29(37)35-28(30(38)39)20(3)43-32(4,5)6;/h9-16,20,28H,17H2,1-8H3,(H,35,37)(H,38,39)(H2,34,36,40);/q;+1/p-1/t20-,28+;/m1./s1
InChIKeyHJIATIOGXBREPZ-GBDMDELXSA-M
XLogP1.22
TPSA150.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.78
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate 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 potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate (CID 68668333) is potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate is COCc1cc(C)c(NC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1.[K+].
What is the InChIKey of potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is HJIATIOGXBREPZ-GBDMDELXSA-M. The full InChI is InChI=1S/C32H40N4O7.K/c1-18-13-21(17-41-7)14-19(2)27(18)36-31(40)34-25-15-22(23-10-12-26(42-8)33-16-23)9-11-24(25)29(37)35-28(30(38)39)20(3)43-32(4,5)6;/h9-16,20,28H,17H2,1-8H3,(H,35,37)(H,38,39)(H2,34,36,40);/q;+1/p-1/t20-,28+;/m1./s1.
What are the key properties of potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate?
potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 630.78 g/mol, XLogP of 1.22, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S,3R)-2-[[2-[[4-(methoxymethyl)-2,6-dimethylphenyl]carbamoylamino]-4-(6-methoxy-3-pyridinyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 68668333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).